En esta sección se presenta una implementación en Python para calcular los parámetros de ecuaciones de estado cúbicas (SRK, PR, RKPR). Las 2 primeras ecuaciónes de estado SRK y PR, son ecuaciones clásicas y ampliamente utilizadas por la industria y la academia que cuentan con 2 parámetros (parámetro de atracción $a_C$ y de repulsión $b$) para describir el comportamiento de sustancias. Por otro lado, la ecuación de estado RKPR, la cual es una propuesta de una ecuación con un tercer parámetro $\delta_1$,el cual permite incluir el efecto estructural de la molécula de la sustancia a la que se quiere describir su comportamiento termodinámico.
Como se mncionó anteriormente en el caso de las ecuaciones de estado (SRK y PR) se tienen los parámetro de atracción $a_C$ y de repulsión $b$ que pueden ser calculados por medio de expresiones que relacionan constantes como temperatura crítica $T_c$, presión crítica $P_c$, volumen crítico $V_c$ y factor acéntrico $\omega$ de una sustancia pura ademas de la constate universal de los gases R.
En el caso de especificar las constantes $T_c$, $P_c$, $V_c$ y $\omega$, es simple calcular los parámetros $a_c$, $b$ y $m$ por medio de las siguientes ecuaciones:
| Parámetros Ecuación de estado SRK | Parámetros Ecuación de estado PR |
|---|---|
| $ a_c = 0.077796070 \frac{R^2 T_c^2} {P_c}$ | $ a_c = 0.45723553 \frac{R^2 T_c^2} {P_c} $ |
| $ b_c = 0.086640 \frac{ R T_c} {P_c}$ | $ b_c = 0.077796070 \frac{R T_c} {P_c} $ |
| $ m = 0.480 + 1.574 \omega - 0.175 \omega^2$ | $m = 0.37464 + 1.54226 \omega - 0.26992 \omega ^2$ |
Ahora en el caso realizar una especificación para los valores de los parámetro de atracción $a_C$, de repulsión $b$ y $m$ para una sustancia pura, es simple obtener los valores correspondientes de las constantes $T_c$, $P_c$, $V_c$ y $\omega$
$$ T_c = \frac{\omega_b a_c} {\omega_a R b} $$$$ P_c = \frac{\omega_b R T_c} {b} $$$$ V_c = \frac{Z_c R T_c} {P_c} $$En el caso del $ \omega$, se debe resolver una ecuación cuadratica que depende de unos determinados valores de constantes $c$, del parámetro $\delta_1$ y el parámetro $m$, que toman determinados valores para casa ecuación de estado:
$$ \omega = 0.5 \frac{- c_2 + \sqrt{c_2^2 - 4 c_1 c_3}}{2c_1} $$| Ecuación de estado SRK | Ecuación de estado PR |
|---|---|
| $\delta_1 = 1.0$ | $\delta_1 = 1.0 + \sqrt{2.0}$ |
| $c_1 = -0.175$ | $c_1 = -0.26992$ |
| $c_2 = 1.574$ | $c_2 = 1.54226$ |
| $c_3 = 0.48 - m$ | $c_3 = 0.37464 - m$ |
En el caso de la ecuación de estado RKPR, se tiene una posibilidad adicional por medio de utilizar el parámetro estructural $\delta_1$ para correlacionar el valor del factor de compresibilidad $Z_c$ con el támaño de la molécula de la sustancia pura que se está tratando. De esta forma, a las especificaciones que se pueden hacer con las ecuaciones de estado (SRK y PR), como en el caso de especificar las constantes como temperatura crítica $T_c$, presión crítica $P_c$, volumen crítico $V_c$ y factor acéntrico $\omega$ de una sustancia pura, se tiene 3 posibles situaciones adicionales:
La primera especificación corresponde a un valor del factor de compresibilidad crítico $Z_c$ y luego determinar el valor del parámetro $\delta_1$ que cumple con dicha especificación. Después se procede con el cálculo del parámetro $k$.
La segunda especificación corresponde a un valor del parámetro $\delta_1$ para el posterior cálculo del parámetro $k$.
La tercera opción es utilizar una correlación termodinámica para obtener un valor de la densidad de líquido saturado de una sustancia pura $\rho(T)_{sat}^{liq}$ y pasarlo como una especificación, para encontrar un valor de los parámetros $\delta_1$ y $k$, que cumplan con la imposición del valor de la densidad de líquido saturado.
Figura 1. Diagrama conceptual del calculo de parámetros ecuación RKPREn la figura 1, los casos de Mode = 1, 2 y 3 corresponden a especificar las constantes ($T_c$, $P_c$, $\omega$) + alguna de las variables ($V_c$, $\delta_1$ , $\rho(T)_{sat}^{liq}$), mientras que el Mode = 4 se refiere a la especificación de los parámetros ($a_c$, $b$, $k$, $\delta_1$) y obtener el valor de las constantes ($T_c$, $P_c$, $V_c$, $\omega$). Este último cálculo se realiza de forma directa como en el caso de las ecuaciones (SRK y PR), por tanto, la siguiente breve explicación se centra en las 3 primeras opciones.
La primera especificación corresponde a dar un valor del parámetro $\delta_1$, con est valor se calcula el factor de compresiblidad $Z_c$ por mediod e las siguientes ecuaciones:
$$d_1 = (1 + \delta_1 ^2) / (1 + \delta_1)$$$$y = 1 + (2 (1 + \delta_1) ^ \frac{1} {3} + \left (\frac{4} {1 + \delta_1} \right)^ \frac{1} {3}$$$$ \omega_a = \frac{(3 y ^2 + 3 y d_1 + d_1 ^ 2 + d_1 - 1)} {(3 y + d_1 - 1) ^ 2} $$$$ \omega_b = \frac{1} {3 y + d_1 - 1} $$$$ Z_c = \frac{y} {3 y + d_1 - 1} $$en $A_0$
factor de compresibilidad crítico $Z_c$, determinado por las constantes ($T_c$, $P_c$, $V_c$):
$$ Z_c = \frac{P_c V_c}{R T_c}$$para el posterior cálculo del parámetro $k$.
La segunda especificación corresponde a un valor del factor de compresibilidad crítico $Z_c$, determinado por las constantes ($T_c$, $P_c$, $V_c$):
$$ Z_c = \frac{P_c V_c}{R T_c}$$que para luego determinar el correspondiente valor del parámetro d1 que cumple con dicha especificación. Después se procede con el cálculo del parámetro k.
La tercera opción es la especificación de un valor para la densidad de líquido saturado a una temperatura. En este caso se debe encontrar un valor d1 y el correspondiente valor del parámetro k, que permita cumplir con la imposición del valor de la densidad de líquido saturado. En este caso, se puede utilizar la clase Thermodynamic_correlations() para obtener un valor para la densidad de líquido saturado de una sustancia pura a una determinada temperatura y luego pasar este valor, como una especificación en la obtención de los parámetros de la ecuación RKPR.
En la figura 4 se muestran como variables de entrada las constantes Tc,Pc, w y alfa que puede ser una especificación de alguno de los 3 parámetros siguientes $(\delta_1, V_c, \rho(T)_{sat}^{liq})$.
La función F1 corresponde a la estimación de un valor para el parámetro {d1} de acuerdo a una correlación preestablecida en el caso de {alfa = Vc}.
La función F2 es el cálculo de los parámetros {ac} y {b} para el correspondiente valor del parámetro {d1}. En el caso de especificar el parámetro {alfa=d1}, el cálculo de los parámetros Zc, ac y b son directos y no requieren de iteración. Mientras que en el caso de alfa = {Vc} se requiere encontrar de forma iterativa el valor del parámetro d1 que verifique el valor de Zc correspondiente por medio del Vc previamente especificado. De manera similar se procede en el caso de {alfa = rho(T)_sat_liq}.
En los ejemplos siguientes se utilizan los datos termodísicos de la base de datos DPPR. Para el caso se tiene como especificación la ecuación de estado RKPR y las constantes criticas para el componente 3-METHYLHEPTANE.
2.3
In [1]:
import numpy as np
import pandas as pd
import pyther as pt
importar las linrerías requeridas, en este caso se trata de las librerías numpy, pandas junto con pyther
In [2]:
properties_data = pt.Data_parse()
component = "3-METHYLHEPTANE"
component = "METHANE"
component = "ETHANE"
component = "PROPANE"
component = "n-HEXATRIACONTANE"
NMODEL = "RKPR"
NMODEL = "PR"
ICALC = "constants_eps"
properties_component = properties_data.selec_component(component)
pt.print_properties_component(component, properties_component)
dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
properties_component[1]['Omega'], properties_component[1]['Vc']])
component_eos = pt.models_eos_cal(NMODEL, ICALC, dinputs)
#ac = component_eos[0]
print(component_eos)
Component = n-HEXATRIACONTANE
Acentric_factor = 1.526
Critical_Temperature = 874.0 K
Critical_Pressure = 6.711 Bar
Critical_Volume = 2.09 cm3/mol
Compressibility_factor_Z = 0.196
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
[359.78656827704333, 0.84239649103360315, 2.0995725340799996, 2.4142135623730949]
In [3]:
components = ["ISOBUTANE", "CARBON DIOXIDE", 'METHANE', "ETHANE", "3-METHYLHEPTANE", "n-PENTACOSANE",
"NAPHTHALENE", "m-ETHYLTOLUENE", "2-METHYL-1-HEXENE"]
NMODEL = "PR"
ICALC = "constants_eps"
component_eos_list = np.zeros((len(components),4))
for index, component in enumerate(components):
properties_component = properties_data.selec_component(component)
#pt.print_properties_component(component, properties_component)
dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
properties_component[1]['Omega'], properties_component[1]['Vc']])
component_eos = pt.models_eos_cal(NMODEL, ICALC, dinputs)
component_eos_list[index] = component_eos
#components_table_PR = pd.DataFrame(component_eos_list, index=components, columns=['ac', 'b', 'rm', 'del1'])
#print(components_table_PR)
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
In [4]:
components_table_PR = pd.DataFrame(component_eos_list, index=components, columns=['ac', 'b', 'rm', 'del1'])
print(components_table_PR)
components_table_PR
ac b rm del1
ISOBUTANE 14.624767 0.073327 0.644657 2.414214
CARBON DIOXIDE 4.014554 0.027005 0.705994 2.414214
METHANE 2.528951 0.027157 0.392340 2.414214
ETHANE 6.128134 0.041073 0.525423 2.414214
3-METHYLHEPTANE 39.968562 0.145103 0.910740 2.414214
n-PENTACOSANE 222.281736 0.560184 1.749542 2.414214
NAPHTHALENE 44.276783 0.121075 0.816061 2.414214
m-ETHYLTOLUENE 45.780981 0.147037 0.844082 2.414214
2-METHYL-1-HEXENE 32.300106 0.122858 0.825976 2.414214
Out[4]:
ac
b
rm
del1
ISOBUTANE
14.624767
0.073327
0.644657
2.414214
CARBON DIOXIDE
4.014554
0.027005
0.705994
2.414214
METHANE
2.528951
0.027157
0.392340
2.414214
ETHANE
6.128134
0.041073
0.525423
2.414214
3-METHYLHEPTANE
39.968562
0.145103
0.910740
2.414214
n-PENTACOSANE
222.281736
0.560184
1.749542
2.414214
NAPHTHALENE
44.276783
0.121075
0.816061
2.414214
m-ETHYLTOLUENE
45.780981
0.147037
0.844082
2.414214
2-METHYL-1-HEXENE
32.300106
0.122858
0.825976
2.414214
In [5]:
name = properties_data.read_dppr()
%timeit name[~name.index.duplicated(keep='first')]
name
The slowest run took 55.62 times longer than the fastest. This could mean that an intermediate result is being cached.
1000 loops, best of 3: 439 µs per loop
Out[5]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
Name
METHANE
0.0115
190.564
45.389
0.0986
0.2860
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
ETHANE
0.0995
305.320
48.083
0.1455
0.2790
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
PROPANE
0.1523
369.830
41.924
0.2000
0.2760
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
n-BUTANE
0.2002
425.120
37.464
0.2550
0.2740
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
n-PENTANE
0.2515
469.700
33.259
0.3130
0.2700
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
n-HEXANE
0.3013
507.600
29.854
0.3710
0.2660
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.2610
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
n-OCTANE
0.3996
568.700
24.574
0.4860
0.2560
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
n-NONANE
0.4435
594.600
22.601
0.5440
0.2520
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
n-DECANE
0.4923
617.700
20.824
0.6000
0.2470
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.2420
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
n-DODECANE
0.5764
658.000
17.962
0.7160
0.2380
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.2320
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.2260
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.2240
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.2200
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.2190
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.2170
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.2150
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.2130
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.2110
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.2090
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.2080
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.2070
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.2050
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.2030
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.2000
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.2000
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.1960
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.1960
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
...
...
...
...
...
...
...
...
...
...
...
...
SULFUR
0.2463
1313.000
179.700
0.1580
0.2640
388.360
717.824
388.360
3.054530e-05
0.017870
20.2454
SILICON
1.0596
4886.000
529.978
0.2326
0.3070
1685.000
3151.000
1685.000
4.675110e-07
0.011087
197.8380
VANADIUM
-0.2408
11325.000
10179.124
0.0328
0.3590
2190.000
3653.150
2190.000
3.112910e-05
0.000000
0.0000
XENON
0.0000
289.740
57.640
0.1180
0.2860
161.360
165.030
161.360
8.059990e-01
0.044449
15.9089
ZINC
0.0780
3170.000
2866.024
0.0330
0.3636
692.700
1181.150
692.700
2.043470e-04
0.009979
109.4470
DIMETHYLDICHLOROSILANE
0.2675
520.350
34.444
0.3580
0.2890
197.050
343.350
197.050
1.323370e-04
0.121206
15.6323
DIMETHYLCHLOROSILANE
0.2526
472.000
35.727
0.2990
0.2760
162.150
308.650
162.150
4.154710e-05
0.109917
14.3865
TRIMETHYLCHLOROSILANE
0.2701
497.750
31.582
0.3660
0.2830
215.450
330.750
215.450
2.014680e-03
0.127296
14.6548
TETRAMETHYLSILANE
0.2240
450.400
27.772
0.3570
0.2680
174.070
299.800
174.070
2.608800e-04
0.137700
12.6060
HEXAMETHYLDISILOXANE
0.4176
518.700
18.890
0.6010
0.2670
204.930
373.670
204.930
5.704260e-05
0.213585
12.5781
HEXAMETHYLCYCLOTRISILOXANE
0.4742
554.200
16.413
0.6340
0.2290
337.150
408.260
337.150
8.380000e-02
0.249999
12.4479
HEXAMETHYLDISILAZANE
0.5101
544.000
18.949
0.6130
0.2600
0.000
399.150
0.000
0.000000e+00
0.209042
13.6319
OCTAMETHYLCYCLOTETRASILOXANE
0.5890
586.500
13.146
0.9700
0.2650
290.800
448.150
290.800
7.295520e-04
0.312420
12.9222
DECAMETHYLCYCLOPENTASILOXANE
0.6658
619.150
11.448
1.2160
0.2740
235.150
484.100
235.150
6.955680e-07
0.388615
12.0599
DODECAMETHYLCYCLOHEXASILOXANE
0.7462
645.800
9.484
1.6100
0.2880
270.150
518.150
270.150
2.834620e-06
0.462201
11.6290
DICHLOROSILANE
0.0985
459.000
45.300
0.2370
0.2850
151.150
281.450
151.150
4.528600e-05
0.081957
16.6804
TRICHLOROSILANE
0.2031
479.000
41.155
0.2680
0.2810
144.950
305.000
144.950
2.832050e-06
0.101489
15.4886
TETRACHLOROSILANE
0.2318
507.000
35.431
0.3260
0.2780
204.300
330.000
204.300
7.816670e-04
0.115581
15.3423
TETRAFLUOROSILANE
0.3858
259.000
36.714
0.2020
0.3490
186.350
178.000
186.350
2.178400e+00
0.063961
14.4327
SILANE
0.0965
269.700
47.800
0.1327
0.2870
88.150
161.000
88.480
1.581380e-04
0.055126
14.2013
DISILANE
0.1017
432.000
50.629
0.1980
0.2830
140.650
259.000
143.850
2.318210e-04
0.074015
16.0554
TRIMETHYLALUMINUM
0.2179
620.000
39.477
0.2710
0.2100
288.430
400.270
288.430
8.795490e-03
0.096325
20.4074
TRIMETHYLGALLIUM
0.2077
510.000
39.872
0.2110
0.2010
257.450
328.950
257.450
3.297440e-02
0.100788
17.3704
CHLOROSULFONIC ACID
0.3010
700.000
83.888
0.1950
0.2850
193.150
427.000
193.150
5.090520e-08
0.000000
26.1158
PERCHLORIC ACID
0.0498
631.000
38.095
0.1680
0.1240
171.950
385.000
171.950
1.274040e-06
0.000000
22.2548
NITRIC ACID
0.7144
520.000
68.000
0.1450
0.2310
231.550
356.150
231.550
5.997350e-04
2.170300
29.6056
WATER
0.3449
647.130
217.666
0.0559
0.2290
273.150
373.150
273.160
6.037300e-03
0.018069
47.8127
HYDROGEN PEROXIDE
0.3582
730.150
214.162
0.0777
0.2780
272.725
423.350
272.740
3.424620e-04
2.260200
45.8343
MAGNESIUM OXIDE
0.0000
5950.000
33.470
0.2095
0.0144
3105.000
3873.200
3105.000
0.000000e+00
0.000000
162.4650
PHOSPHORUS PENTOXIDE
0.5936
1291.000
228.966
0.0000
0.0000
561.150
787.150
561.150
4.100290e-03
0.000000
0.0000
1150 rows × 11 columns
In [6]:
np.shape(name)
Out[6]:
(1150, 11)
In [7]:
name.ix["NITROGEN TRIFLUORIDE"]
/home/andres-python/anaconda3/lib/python3.5/site-packages/ipykernel/__main__.py:1: DeprecationWarning:
.ix is deprecated. Please use
.loc for label based indexing or
.iloc for positional indexing
See the documentation here:
http://pandas.pydata.org/pandas-docs/stable/indexing.html#ix-indexer-is-deprecated
if __name__ == '__main__':
Out[7]:
Omega 0.125500
Tc 233.850000
Pc 44.707000
Vc 0.118700
Zc 0.277000
Tm 66.360000
Tb 144.090000
Ttr 66.360000
Ptr 0.000003
Vliq 0.235000
SolPar 14.996000
Name: NITROGEN TRIFLUORIDE, dtype: float64
In [8]:
name.index
Out[8]:
Index(['METHANE', 'ETHANE', 'PROPANE', 'n-BUTANE', 'n-PENTANE', 'n-HEXANE',
'n-HEPTANE', 'n-OCTANE', 'n-NONANE', 'n-DECANE',
...
'DISILANE', 'TRIMETHYLALUMINUM', 'TRIMETHYLGALLIUM',
'CHLOROSULFONIC ACID', 'PERCHLORIC ACID', 'NITRIC ACID', 'WATER',
'HYDROGEN PEROXIDE', 'MAGNESIUM OXIDE', 'PHOSPHORUS PENTOXIDE'],
dtype='object', name='Name', length=1150)
In [9]:
name.index[-2:]
Out[9]:
Index(['MAGNESIUM OXIDE', 'PHOSPHORUS PENTOXIDE'], dtype='object', name='Name')
In [10]:
type(list(name.index))
Out[10]:
list
In [11]:
name_componets = list(name.index)
name_componets
Out[11]:
['METHANE',
'ETHANE',
'PROPANE',
'n-BUTANE',
'n-PENTANE',
'n-HEXANE',
'n-HEPTANE',
'n-OCTANE',
'n-NONANE',
'n-DECANE',
'n-UNDECANE',
'n-DODECANE',
'n-TRIDECANE',
'n-TETRADECANE',
'n-PENTADECANE',
'n-HEXADECANE',
'n-HEPTADECANE',
'n-OCTADECANE',
'n-NONADECANE',
'n-EICOSANE',
'n-HENEICOSANE',
'n-DOCOSANE',
'n-TRICOSANE',
'n-TETRACOSANE',
'n-PENTACOSANE',
'n-HEXACOSANE',
'n-OCTACOSANE',
'n-TRIACONTANE',
'n-DOTRIACONTANE',
'n-HEXATRIACONTANE',
'ISOBUTANE',
'ISOPENTANE',
'2-METHYLPENTANE',
'3-METHYLPENTANE',
'2-METHYLHEXANE',
'3-METHYLHEXANE',
'2-METHYLHEPTANE',
'3-METHYLHEPTANE',
'4-METHYLHEPTANE',
'2-METHYLOCTANE',
'3-METHYLOCTANE',
'4-METHYLOCTANE',
'2-METHYLNONANE',
'3-METHYLNONANE',
'4-METHYLNONANE',
'5-METHYLNONANE',
'NEOPENTANE',
'2,2-DIMETHYLBUTANE',
'2,3-DIMETHYLBUTANE',
'2,2-DIMETHYLPENTANE',
'2,3-DIMETHYLPENTANE',
'2,4-DIMETHYLPENTANE',
'3,3-DIMETHYLPENTANE',
'2,2-DIMETHYLHEXANE',
'2,3-DIMETHYLHEXANE',
'2,4-DIMETHYLHEXANE',
'2,5-DIMETHYLHEXANE',
'3,3-DIMETHYLHEXANE',
'3,4-DIMETHYLHEXANE',
'2,2-DIMETHYLHEPTANE',
'2,6-DIMETHYLHEPTANE',
'2,2-DIMETHYLOCTANE',
'2,3-DIMETHYLOCTANE',
'2,4-DIMETHYLOCTANE',
'2,5-DIMETHYLOCTANE',
'2,6-DIMETHYLOCTANE',
'2,7-DIMETHYLOCTANE',
'3-ETHYLPENTANE',
'2,2,3-TRIMETHYLBUTANE',
'3-ETHYLHEXANE',
'2-METHYL-3-ETHYLPENTANE',
'3-METHYL-3-ETHYLPENTANE',
'2,2,3,3-TETRAMETHYLBUTANE',
'2,2,3-TRIMETHYLPENTANE',
'2,2,4-TRIMETHYLPENTANE',
'2,3,3-TRIMETHYLPENTANE',
'2,3,4-TRIMETHYLPENTANE',
'3,3-DIETHYLPENTANE',
'2,2-DIMETHYL-3-ETHYLPENTANE',
'2,4-DIMETHYL-3-ETHYLPENTANE',
'3-ETHYLHEPTANE',
'2,2,3,3-TETRAMETHYLPENTANE',
'2,2,3,4-TETRAMETHYLPENTANE',
'2,2,4,4-TETRAMETHYLPENTANE',
'2,3,3,4-TETRAMETHYLPENTANE',
'2,2,5-TRIMETHYLHEXANE',
'2,4,4-TRIMETHYLHEXANE',
'CYCLOPROPANE',
'CYCLOBUTANE',
'CYCLOPENTANE',
'CYCLOHEXANE',
'CYCLOHEPTANE',
'CYCLOOCTANE',
'METHYLCYCLOPENTANE',
'1,1-DIMETHYLCYCLOPENTANE',
'cis-1,2-DIMETHYLCYCLOPENTANE',
'trans-1,2-DIMETHYLCYCLOPENTANE',
'cis 1,3-DIMETHYLCYCLOPENTANE',
'trans 1,3-DIMETHYLCYCLOPENTANE',
'ETHYLCYCLOPENTANE',
'ISOPROPYLCYCLOPENTANE',
'1-METHYL-1-ETHYLCYCLOPENTANE',
'n-PROPYLCYCLOPENTANE',
'n-BUTYLCYCLOPENTANE',
'METHYLCYCLOHEXANE',
'1,1-DIMETHYLCYCLOHEXANE',
'cis-1,2-DIMETHYLCYCLOHEXANE',
'trans-1,2-DIMETHYLCYCLOHEXANE',
'cis-1,3-DIMETHYLCYCLOHEXANE',
'trans-1,3-DIMETHYLCYCLOHEXANE',
'cis-1,4-DIMETHYLCYCLOHEXANE',
'trans-1,4-DIMETHYLCYCLOHEXANE',
'ETHYLCYCLOHEXANE',
'ISOPROPYLCYCLOHEXANE',
'n-PROPYLCYCLOHEXANE',
'n-BUTYLCYCLOHEXANE',
'n-DECYLCYCLOHEXANE',
'cis-DECAHYDRONAPHTHALENE',
'trans-DECAHYDRONAPHTHALENE',
'BICYCLOHEXYL',
'ETHYLENE',
'PROPYLENE',
'1-BUTENE',
'1-PENTENE',
'1-HEXENE',
'1-HEPTENE',
'1-OCTENE',
'1-NONENE',
'1-DECENE',
'1-UNDECENE',
'1-DODECENE',
'1-TRIDECENE',
'1-TETRADECENE',
'1-PENTADECENE',
'1-HEXADECENE',
'1-HEPTADECENE',
'1-OCTADECENE',
'1-NONADECENE',
'1-EICOSENE',
'cis-2-BUTENE',
'trans-2-BUTENE',
'cis-2-PENTENE',
'trans-2-PENTENE',
'cis-2-HEXENE',
'trans-2-HEXENE',
'cis-3-HEXENE',
'trans-3-HEXENE',
'cis-2-HEPTENE',
'trans-2-HEPTENE',
'cis-3-HEPTENE',
'trans-3-HEPTENE',
'cis-2-OCTENE',
'cis-3-OCTENE',
'cis-4-OCTENE',
'trans-2-OCTENE',
'trans-3-OCTENE',
'trans-4-OCTENE',
'ISOBUTENE',
'2-METHYL-1-BUTENE',
'2-METHYL-2-BUTENE',
'3-METHYL-1-BUTENE',
'2-METHYL-1-PENTENE',
'2-METHYL-2-PENTENE',
'3-METHYL-1-PENTENE',
'3-METHYL-cis-2-PENTENE',
'3-METHYL-trans-2-PENTENE',
'4-METHYL-1-PENTENE',
'4-METHYL-cis-2-PENTENE',
'4-METHYL-trans-2-PENTENE',
'2-METHYL-1-HEXENE',
'3-METHYL-1-HEXENE',
'4-METHYL-1-HEXENE',
'2-METHYL-1-HEPTENE',
'2,3-DIMETHYL-1-BUTENE',
'2,3-DIMETHYL-2-BUTENE',
'3,3-DIMETHYL-1-BUTENE',
'2-ETHYL-1-BUTENE',
'2-ETHYL-1-PENTENE',
'3-ETHYL-1-PENTENE',
'2,3,3-TRIMETHYL-1-BUTENE',
'2,3-DIMETHYL-1-HEXENE',
'2-ETHYL-1-HEXENE',
'2,4,4-TRIMETHYL-1-PENTENE',
'2,4,4-TRIMETHYL-2-PENTENE',
'CYCLOPENTENE',
'CYCLOHEXENE',
'1-METHYLCYCLOPENTENE',
'3-METHYLCYCLOPENTENE',
'4-METHYLCYCLOPENTENE',
'CYCLOHEPTENE',
'CYCLOOCTENE',
'PROPADIENE',
'1,2-BUTADIENE',
'1,3-BUTADIENE',
'CYCLOPENTADIENE',
'ISOPRENE',
'3-METHYL-1,2-BUTADIENE',
'1,2-PENTADIENE',
'cis-1,3-PENTADIENE',
'trans-1,3-PENTADIENE',
'1,4-PENTADIENE',
'2,3-PENTADIENE',
'1,3-CYCLOHEXADIENE',
'1,4-CYCLOHEXADIENE',
'METHYLCYCLOPENTADIENE',
'2,3-DIMETHYL-1,3-BUTADIENE',
'1,4-HEXADIENE',
'1,5-HEXADIENE',
'cis,trans-2,4-HEXADIENE',
'trans,trans-2,4-HEXADIENE',
'1,5-CYCLOOCTADIENE',
'VINYLCYCLOHEXENE',
'2,5-DIMETHYL-1,5-HEXADIENE',
'2,5-DIMETHYL-2,4-HEXADIENE',
'DICYCLOPENTADIENE',
'ACETYLENE',
'METHYLACETYLENE',
'VINYLACETYLENE',
'DIMETHYLACETYLENE',
'ETHYLACETYLENE',
'2-METHYL-1-BUTENE-3-YNE',
'1-PENTENE-3-YNE',
'1-PENTENE-4-YNE',
'3-METHYL-1-BUTYNE',
'1-PENTYNE',
'2-PENTYNE',
'1-HEXYNE',
'2-HEXYNE',
'3-HEXYNE',
'1-HEPTYNE',
'1-OCTYNE',
'BENZENE',
'TOLUENE',
'ETHYLBENZENE',
'n-PROPYLBENZENE',
'n-BUTYLBENZENE',
'n-PENTYLBENZENE',
'n-HEXYLBENZENE',
'n-HEPTYLBENZENE',
'n-OCTYLBENZENE',
'n-NONYLBENZENE',
'n-DECYLBENZENE',
'n-UNDECYLBENZENE',
'n-DODECYLBENZENE',
'n-TRIDECYLBENZENE',
'n-TETRADECYLBENZENE',
'n-PENTADECYLBENZENE',
'n-HEXADECYLBENZENE',
'n-HEPTADECYLBENZENE',
'n-OCTADECYLBENZENE',
'm-XYLENE',
'o-XYLENE',
'p-XYLENE',
'CUMENE',
'm-ETHYLTOLUENE',
'o-ETHYLTOLUENE',
'p-ETHYLTOLUENE',
'MESITYLENE',
'1,2,3-TRIMETHYLBENZENE',
'1,2,4-TRIMETHYLBENZENE',
'sec-BUTYLBENZENE',
'tert-BUTYLBENZENE',
'm-CYMENE',
'o-CYMENE',
'p-CYMENE',
'm-DIETHYLBENZENE',
'o-DIETHYLBENZENE',
'p-DIETHYLBENZENE',
'2-ETHYL-m-XYLENE',
'2-ETHYL-p-XYLENE',
'3-ETHYL-o-XYLENE',
'4-ETHYL-m-XYLENE',
'4-ETHYL-o-XYLENE',
'5-ETHYL-m-XYLENE',
'ISOBUTYLBENZENE',
'1-METHYL-2-n-PROPYLBENZENE',
'1-METHYL-3-n-PROPYLBENZENE',
'1-METHYL-4-n-PROPYLBENZENE',
'1,2,3,4-TETRAMETHYLBENZENE',
'1,2,3,5-TETRAMETHYLBENZENE',
'1,2,4,5-TETRAMETHYLBENZENE',
'm-DIISOPROPYLBENZENE',
'p-DIISOPROPYLBENZENE',
'p-tert-BUTYL ETHYLBENZENE',
'ETHYNYLBENZENE',
'STYRENE',
'alpha-METHYLSTYRENE',
'm-METHYLSTYRENE',
'o-METHYLSTYRENE',
'p-METHYLSTYRENE',
'cis-1-PROPENYLBENZENE',
'trans-1-PROPENYLBENZENE',
'm-DIVINYLBENZENE',
'2-PHENYLBUTENE-1',
'cis-2-PHENYLBUTENE-2',
'trans-2-PHENYLBUTENE-2',
'p-ISOPROPENYLSTYRENE',
'CYCLOHEXYLBENZENE',
'p-tert-BUTYLSTYRENE',
'4-ISOBUTYLSTYRENE',
'NAPHTHALENE',
'1,2,3,4-TETRAHYDRONAPHTHALENE',
'1-METHYLNAPHTHALENE',
'2-METHYLNAPHTHALENE',
'2,6-DIMETHYLNAPHTHALENE',
'2,7-DIMETHYLNAPHTHALENE',
'1-ETHYLNAPHTHALENE',
'2-ETHYLNAPHTHALENE',
'1-n-PROPYLNAPHTHALENE',
'1-n-BUTYLNAPHTHALENE',
'1-PHENYLNAPHTHALENE',
'1-n-HEXYLNAPHTHALENE',
'1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE',
'1-n-NONYLNAPHTHALENE',
'1-n-DECYLNAPHTHALENE',
'ACENAPHTHALENE',
'ACENAPHTHENE',
'FLUORENE',
'ANTHRACENE',
'PHENANTHRENE',
'FLUORANTHENE',
'PYRENE',
'CHRYSENE',
'BIPHENYL',
'DIPHENYLMETHANE',
'DIPHENYLACETYLENE',
'cis-STILBENE',
'trans-STILBENE',
'1,1-DIPHENYLETHANE',
'1,2-DIPHENYLETHANE',
'm-TERPHENYL',
'o-TERPHENYL',
'p-TERPHENYL',
'2,4-DIPHENYL-4-METHYLPENTENE-1',
'2,3-DIMETHYL-2,3-DIPHENYLBUTANE',
'TRIPHENYLMETHANE',
'TRIPHENYLETHYLENE',
'1,1,2-TRIPHENYLETHANE',
'TETRAPHENYLMETHANE',
'TETRAPHENYLETHYLENE',
'1,1,2,2-TETRAPHENYLETHANE',
'd-LIMONENE',
'alpha-PHELLANDRENE',
'beta-PHELLANDRENE',
'alpha-TERPINENE',
'gamma-TERPINENE',
'TERPINOLENE',
'2-NORBORNENE',
'INDENE',
'INDANE',
'1-METHYLINDENE',
'2-METHYLINDENE',
'ADAMANTANE',
'CAMPHENE',
'alpha-PINENE',
'beta-PINENE',
'1,2,3-TRIMETHYLINDENE',
'1-PHENYLINDENE',
'AIR',
'ARSINE',
'DIBORANE',
'CARBON MONOXIDE',
'CARBON DIOXIDE',
'PERCHLORYL FLUORIDE',
'NITROSYL CHLORIDE',
'CHLORINE DIOXIDE',
'NITROGEN TRIFLUORIDE',
'TETRAFLUOROHYDRAZINE',
'HYDROGEN SULFIDE',
'PHOSPHINE',
'HYDRAZINE',
'NITRIC OXIDE',
'NITROUS OXIDE',
'OZONE',
'SULFUR DIOXID',
'FORMALDEHYDE',
'GLYOXAL',
'ACETALDEHYDE',
'ACROLEIN',
'1-PROPANAL',
'trans-CROTONALDEHYDE',
'METHACROLEIN',
'1-BUTANAL',
'2-METHYLPROPANAL',
'1-PENTANAL',
'1-HEXANAL',
'BENZALDEHYDE',
'1-HEPTANAL',
'2-METHYLHEXANAL',
'3-METHYLHEXANAL',
'TEREPHTHALDEHYDE',
'p-TOLUALDEHYDE',
'2-ETHYLHEXANAL',
'1-OCTANAL',
'1-NONANAL',
'1-DECANAL',
'1-UNDECANAL',
'1-DODECANAL',
'1-TRIDECANAL',
'KETENE',
'ACETONE',
'DIKETENE',
'METHYL ETHYL KETONE',
'CYCLOPENTANONE',
'METHYL ETHYL KETONE KETONE',
'ACETYLACETONE',
'METHYL ISOPROPYL KETONE',
'2-PENTANONE',
'3-PENTANONE',
'QUINONE',
'CYCLOHEXANONE',
'MESITYL OXIDE',
'3,3-DIMETHYL-2-BUTANONE',
'ETHYL ISOPROPYL KETONE',
'2-HEXANONE',
'3-HEXANONE',
'METHYL ISOBUTYL KETONE',
'3-METHYL-2-PENTANONE',
'DIISOPROPYL KETONE',
'2-HEPTANONE',
'3-HEPTANONE',
'4-HEPTANONE',
'5-METHYL-2-HEXANONE',
'ACETOPHENONE',
'2-OCTANONE',
'ISOPHORONE',
'DIISOBUTYL KETONE',
'2-NONANONE',
'5-NONANONE',
'CAMPHOR',
'2-CYCLOHEXYL CYCLOHEXANONE',
'BENZOPHENONE',
'ANTHRAQUINONE',
'METHANOL',
'ETHANOL',
'1-PROPANOL',
'1-BUTANOL',
'1-PENTANOL',
'1-HEXANOL',
'1-HEPTANOL',
'1-OCTANOL',
'1-NONANOL',
'1-DECANOL',
'1-UNDECANOL',
'1-DODECANOL',
'1-TRIDECANOL',
'1-TETRADECANOL',
'1-PENTADECANOL',
'1-HEXADECANOL',
'1-HEPTADECANOL',
'1-OCTADECANOL',
'1-NONADECANOL',
'1-EICOSANOL',
'PROPARGYL ALCOHOL',
'ALLYL ALCOHOL',
'ISOPROPANOL',
'2-BUTANOL',
'2-METHYL-1-PROPANOL',
'2-METHYL-2-PROPANOL',
'2,2-DIMETHYL-1-PROPANOL',
'2-METHYL-1-BUTANOL',
'2-METHYL-2-BUTANOL',
'3-METHYL-1-BUTANOL',
'3-METHYL-2-BUTANOL',
'2-PENTANOL',
'3-PENTANOL',
'2-ETHYL-1-BUTANOL',
'2-HEXANOL',
'2-METHYL-1-PENTANOL',
'4-METHYL-2-PENTANOL',
'2-HEPTANOL',
'5-METHYL-1-HEXANOL',
'2-ETHYL-1-HEXANOL',
'2-OCTANOL',
'2,6-DIMETHYL-4-HEPTANOL',
'2-NONANOL',
'8-METHYL-1-NONANOL',
'CYCLOHEXANOL',
'1-METHYLCYCLOHEXANOL',
'cis-2-METHYLCYCLOHEXANOL',
'trans-2-METHYLCYCLOHEXANOL',
'cis-3-METHYLCYCLOHEXANOL',
'trans-3-METHYLCYCLOHEXANOL',
'cis-4-METHYLCYCLOHEXANOL',
'trans-4-METHYLCYCLOHEXANOL',
'L-MENTHOL',
'PHENOL',
'BENZYL ALCOHOL',
'm-CRESOL',
'o-CRESOL',
'p-CRESOL',
'4-HYDROXYSTYRENE',
'p-ETHYLPHENOL',
'alpha-METHYLBENZYL ALCOHOL',
'2-PHENYLETHANOL',
'2,3-XYLENOL',
'2,4-XYLENOL',
'2,5-XYLENOL',
'2,6-XYLENOL',
'3,4-XYLENOL',
'3,5-XYLENOL',
'1-PHENYL-1-PROPANOL',
'1-PHENYL-2-PROPANOL',
'2-PHENYL-2-PROPANOL',
'p-tert-BUTYLPHENOL',
'p-tert-AMYLPHENOL',
'p-tert-OCTYLPHENOL',
'p-CUMYLPHENOL',
'2,6-DI-tert-BUTYL-p-CRESOL',
'NONYLPHENOL',
'DINONYLPHENOL',
'ETHYLENE GLYCOL',
'1,2-PROPYLENE GLYCOL',
'1,3-PROPYLENE GLYCOL',
'GLYCEROL',
'2-BUTYNE-1,4-DIOL',
'cis-2-BUTENE-1,4-DIOL',
'trans-2-BUTENE-1,4-DIOL',
'1,2-BUTANEDIOL',
'1,3-BUTANEDIOL',
'1,4-BUTANEDIOL',
'2,3-BUTANEDIOL',
'2-METHYL-1,3-PROPANEDIOL',
'DIETHYLENE GLYCOL',
'NEOPENTYL GLYCOL',
'1,5-PENTANEDIOL',
'2,4-PENTANEDIOL',
'PENTAERYTHRITOL',
'1,2-BENZENEDIOL',
'1,3-BENZENEDIOL',
'p-HYDROQUINONE',
'1,2,3-BENZENETRIOL',
'INOSITOL',
'1,6-HEXANEDIOL',
'HEXYLENE GLYCOL',
'DIPROPYLENE GLYCOL',
'TRIMETHYLOLPROPANE',
'TRIETHYLENE GLYCOL',
'SORBITOL',
'TETRAETHYLENE GLYCOL',
'TRIPROPYLENE GLYCOL',
'p-tert-BUTYLCATECHOL',
'BISPHENOL A',
'FORMIC ACID',
'ACETIC ACID',
'PROPIONIC ACID',
'n-BUTYRIC ACID',
'n-PENTANOIC ACID',
'n-HEXANOIC ACID',
'n-HEPTANOIC ACID',
'n-OCTANOIC ACID',
'n-NONANOIC ACID',
'n-DECANOIC ACID',
'n-UNDECANOIC ACID',
'n-DODECANOIC ACID',
'n-TRIDECANOIC ACID',
'n-TETRADECANOIC ACID',
'PENTADECANOIC ACID',
'n-HEXADECANOIC ACID',
'n-HEPTADECANOIC ACID',
'STEARIC ACID',
'NONADECANOIC ACID',
'n-EICOSANIC ACID',
'PERACETIC ACID',
'ACRYLIC ACID',
'cis-CROTONIC ACID',
'trans-CROTONIC ACID',
'METHACRYLIC ACID',
'ISOBUTYRIC ACID',
'CITRACONIC ACID',
'ITACONIC ACID',
'2-METHYLBUTYRIC ACID',
'ISOVALERIC ACID',
'NEOPENTANOIC ACID',
'2-ETHYL BUTYRIC ACID',
'CINNAMIC ACID',
'LINOLENIC ACID',
'LINOLEIC ACID',
'OLEIC ACID',
'ABIETIC ACID',
'OXALIC ACID',
'MALONIC ACID',
'FUMARIC ACID',
'MALEIC ACID',
'SUCCINIC ACID',
'GLUTARIC ACID',
'ADIPIC ACID',
'PIMELIC ACID',
'1,4-CYCLOHEXANEDICARBOXYLIC ACID',
'SUBERIC ACID',
'AZELAIC ACID',
'SEBACIC ACID',
'BENZOIC ACID',
'ISOPHTHALIC ACID',
'PHTHALIC ACID',
'TEREPHTHALIC ACID',
'o-TOLUIC ACID',
'p-TOLUIC ACID',
'PYROMELLITIC ACID',
'IBUPROFEN',
'MALEIC ANHYDRIDE',
'SUCCINIC ANHYDRIDE',
'ACETIC ANHYDRIDE',
'GLUTARIC ANHYDRIDE',
'PROPIONIC ANHYDRIDE',
'PHTHALIC ANHYDRIDE',
'BUTYRIC ANHYDRIDE',
'TRIMELLITIC',
'METHYL FORMATE',
'VINYL FORMATE',
'ETHYL FORMATE',
'n-PROPYL FORMATE',
'n-BUTYL FORMATE',
'sec-BUTYL FORMATE',
'tert-BUTYL FORMATE',
'ISOBUTYL FORMATE',
'n-PENTYL FORMATE',
'CYCLOHEXYL FORMATE',
'n-HEXYL FORMATE',
'n-HEPTYL FORMATE',
'n-OCTYL FORMATE',
'n-NONYL FORMATE',
'n-DECYL FORMATE',
'METHYL ACETATE',
'VINYL ACETATE',
'ETHYL ACETATE',
'ALLYL ACETATE',
'ISOPROPYL ACETATE',
'n-PROPYL ACETATE',
'ETHYLENE GLYCOL DIACETATE',
'ETHYLIDENE DIACETATE',
'n-BUTYL ACETATE',
'sec-BUTYL ACETATE',
'tert-BUTYL ACETATE',
'ISOBUTYL ACETATE',
'ISOPENTYL ACETATE',
'n-PENTYL ACETATE',
'CYCLOHEXYL ACETATE',
'n-HEXYL ACETATE',
'GLYCERYL TRIACETATE',
'n-HEPTYL',
'2-ETHYLHEXYL',
'n-OCTYL',
'n-NONYL',
'n-DECYL',
'METHYL PROPIONATE',
'VINYL PROPIONATE',
'ETHYL PROPIONATE',
'beta-PROPIOLACTONE',
'gamma-BUTYROLACTONE',
'gamma-VALEROLACTONE',
'epsilon-CAPROLACTONE',
'DI(2-ETHYLHEXYL)ADIPATE',
'DIISOPROPYL ETHER',
'DI-n-PROPYL ETHER',
'METHYL-n-PENTYL ETHER',
'DI-n-BUTYL ETHER',
'DI-sec-BUTYL ETHER',
'DI-tert-BUTYL ETHER',
'DIISOBUTYL ETHER',
'ETHYL-n-HEXYL ETHER',
'DI-n-PENTYL ETHER',
'DI-n-HEXYL ETHER',
'DI-n-OCTYL ETHER',
'DINONYL ETHER',
'METHYLAL',
'1,2-DIMETHOXYETHANE',
'ETHYLAL',
'PARALDEHYDE',
'ACETAL',
'1,2-DIETHOXYETHANE',
'DIETHYLENE GLYCOL DIMETHYL ETHER',
'ANISOLE',
'PHENETOLE',
'DIETHYLENE GLYCOL DIETHYL ETHER',
'TRIETHYLENE GLYCOL DIMETHYL ETHER',
'BENZYL ETHYL ETHER',
'ANETHOLE',
'TETRAETHYLENE GLYCOL DIMETHYL ETHER',
'DIPHENYL ETHER',
'DIETHYLENE GLYCOL DI-n-BUTYL ETHER',
'DIBENZYL ETHER',
'ETHYLENE OXIDE',
'1,2-PROPYLENE OXIDE',
'1,3-PROPYLENE OXIDE',
'TRIOXANE',
'FURAN',
'2,5-DIHYDROFURAN',
'1,2-EPOXYBUTANE',
'1,2-EPOXY-2-METHYLPROPANE',
'TETRAHYDROFURAN',
'1,3-DIOXANE',
'1,4-DIOXANE',
'2-METHYLBENZOFURAN',
'DIBENZOFURAN',
't-BUTYL HYDROPEROXIDE',
'CYCLOHEXYL PEROXIDE',
'ETHYLBENZENE HYDROPEROXIDE',
'DI-t-BUTYL PEROXIDE',
'CUMENE HYDROPEROXIDE',
'p-MENTHANE HYDROPEROXIDE',
'm-DIISOPROPYLBENZENE HYDROPEROXIDE',
'p-DIISOPROPYLBENZENE HYDROPEROXIDE',
'BENZOYL PEROXIDE',
'DICUMYL PEROXIDE',
'CARBON TETRACHLORIDE',
'CHLOROFORM',
'DICHLOROMETHANE',
'METHYL CHLORIDE',
'TETRACHLOROETHYLENE',
'HEXACHLOROETHANE',
'TRICHLOROETHYLENE',
'PENTACHLOROETHANE',
'1,1-DICHLOROETHYLENE',
'cis-1,2-DICHLOROETHYLENE',
'trans-1,2-DICHLOROETHYLENE',
'1,1,1,2-TETRACHLOROETHANE',
'1,1,2,2-TETRACHLOROETHANE',
'VINYL CHLORIDE',
'1,1,1-TRICHLOROETHANE',
'1,1,2-TRICHLOROETHANE',
'1,1-DICHLOROETHANE',
'1,2-DICHLOROETHANE',
'ETHYL CHLORIDE',
'PROPARGYL CHLORIDE',
'2,3-DICHLOROPROPENE',
'2-CHLOROPROPENE',
'3-CHLOROPROPENE',
'1,2,3-TRICHLOROPROPANE',
'1,1-DICHLOROPROPANE',
'1,2-DICHLOROPROPANE',
'1,3-DICHLOROPROPANE',
'ISOPROPYL CHLORIDE',
'n-PROPYL CHLORIDE',
'HEXACHLORO-1,3-BUTADIENE',
'CHLOROPRENE',
'1,3-DICHLORO-trans-2-BUTENE',
'1,4-DICHLORO-cis-2-BUTENE',
'1,4-DICHLORO-trans-2-BUTENE',
'3,4-DICHLORO-1-BUTENE',
'1,2-DICHLOROBUTANE',
'1,4-DICHLOROBUTANE',
'2,3-DICHLOROBUTANE',
'n-BUTYL CHLORIDE',
'sec-BUTYL CHLORIDE',
'tert-BUTYL CHLORIDE',
'HEXACHLOROCYCLOPENTADIENE',
'1,5-DICHLOROPENTANE',
'1-CHLOROPENTANE',
'HEXACHLOROBENZENE',
'1,2,4-TRICHLOROBENZENE',
'1,3,5-TRICHLOROBENZENE',
'm-DICHLOROBENZENE',
'o-DICHLOROBENZENE',
'p-DICHLOROBENZENE',
'MONOCHLOROBENZENE',
'BENZOTRICHLORIDE',
'BENZYL DICHLORIDE',
'2,4-DICHLOROTOLUENE',
'BENZYL CHLORIDE',
'o-CHLOROTOLUENE',
'p-CHLOROTOLUENE',
'1-CHLORONAPHTHALENE',
'TRIBROMOMETHANE',
'DIBROMOMETHANE',
'METHYL BROMIDE',
'1,1,2,2-TETRABROMOETHANE',
'VINYL BROMIDE',
'1,1-DIBROMOETHANE',
'1,2-DIBROMOETHANE',
'BROMOETHANE',
'1-BROMOPROPANE',
'2-BROMOPROPANE',
'1-BROMOBUTANE',
'2-BROMOBUTANE',
'm-DIBROMOBENZENE',
'BROMOBENZENE',
'p-BROMOTOLUENE',
'1-BROMOHEPTANE',
'1-BROMONAPHTHALENE',
'DIIODOMETHANE',
'METHYL IODIDE',
'ETHYL',
'ISOPROPYL',
'n-PROPYL',
'IODOBENZENE',
'CARBON TETRAFLUORIDE',
'TRIFLUOROMETHANE',
'DIFLUOROMETHANE',
'METHYL FLUORIDE',
'TETRAFLUOROETHYLENE',
'HEXAFLUOROETHANE',
'PENTAFLUOROETHANE',
'1,1-DIFLUOROETHYLENE',
'1,1,1,2-TETRAFLUOROETHANE',
'1,1,2,2-TETRAFLUOROETHANE',
'VINYL FLUORIDE',
'1,1,1-TRIFLUOROETHANE',
'1,1-DIFLUOROETHANE',
'1,2-DIFLUOROETHANE',
'ETHYL FLUORIDE',
'HEXAFLUOROPROPYLENE',
'OCTAFLUOROPROPANE',
'OCTAFLUORO-2-BUTENE',
'OCTAFLUOROCYCLOBUTANE',
'DECAFLUOROBUTANE',
'HEXAFLUOROBENZENE',
'FLUOROBENZENE',
'BENZOTRIFLUORIDE',
'BROMOCHLORODIFLUOROMETHANE',
'BROMOTRICHLOROMETHANE',
'BROMOTRIFLUOROMETHANE',
'DIBROMODIFLUOROMETHANE',
'CHLOROTRIFLUOROMETHANE',
'DICHLORODIFLUOROMETHANE',
'TRICHLOROFLUOROMETHANE',
'CHLORODIFLUOROMETHANE',
'DICHLOROFLUOROMETHANE',
'BROMOCHLOROMETHANE',
'BROMOTRIFLUOROETHYLENE',
'1,2-DIBROMOTETRAFLUOROETHANE',
'CHLOROTRIFLUOROETHYLENE',
'CHLOROPENTAFLUOROETHANE',
'1,1-DICHLOROTETRAFLUOROETHANE',
'1,2-DICHLOROTETRAFLUOROETHANE',
'1,1,2-TRICHLOROTRIFLUOROETHANE',
'1,1,1,2-TETRACHLORODIFLUOROETHANE',
'1,1,2,2-TETRACHLORODIFLUOROETHANE',
'HALOTHANE',
'2-CHLORO-1,1-DIFLUOROETHYLENE',
'2-CHLORO-1,1,1,2-TETRAFLUOROETHANE',
'1,1-DICHLORO-2,2,2-TRIFLUOROETHANE',
'1,2-DICHLORO-1,1,2-TRIFLUOROETHANE',
'1,1,1-TRICHLOROFLUOROETHANE',
'1-CHLORO-1,1-DIFLUOROETHANE',
'1,1-DICHLORO-1-FLUOROETHANE',
'2,4-DICHLOROBENZOTRIFLUORIDE',
'p-CHLOROBENZOTRIFLUORIDE',
'METHYLAMINE',
'ETHYLAMINE',
'n-PROPYLAMINE',
'n-BUTYLAMINE',
'n-PENTYLAMINE',
'n-HEXYLAMINE',
'n-HEPTYLAMINE',
'n-OCTYLAMINE',
'n-NONYLAMINE',
'n-DECYLAMINE',
'UNDECYLAMINE',
'n-DODECYLAMINE',
'n-TETRADECYLAMINE',
'DIMETHYLAMINE',
'ISOPROPYLAMINE',
'TRIMETHYLAMINE',
'sec-BUTYLAMINE',
'tert-BUTYLAMINE',
'DIETHYLAMINE',
'ISOBUTYLAMINE',
'DIISOPROPYLAMINE',
'DI-n-PROPYLAMINE',
'TRIETHYLAMINE',
'DI-n-BUTYLAMINE',
'DIISOBUTYLAMINE',
'TRIPROPYLAMINE',
'DIAMYLAMINE',
'TRI-n-BUTYLAMINE',
'TRIAMYLAMINE',
'MELAMINE',
'PYRIDINE',
'ANILINE',
'2-METHYLPYRIDINE',
'3-METHYLPYRIDINE',
'4-METHYLPYRIDINE',
'm-PHENYLENEDIAMINE',
'o-PHENYLENEDIAMINE',
'p-PHENYLENEDIAMINE',
'PHENYLHYDRAZINE',
'BENZYLAMINE',
'2,6-DIMETHYLPYRIDINE',
'N-METHYLANILINE',
'm-TOLUIDINE',
'o-TOLUIDINE',
'p-TOLUIDINE',
'TOLUENEDIAMINE',
'N,N-DIMETHYLANILINE',
'N-ETHYLANILINE',
'o-ETHYLANILINE',
'2,4,6-TRIMETHYLPYRIDINE',
'ISOQUINOLINE',
'QUINOLINE',
'QUINALDINE',
'N,N-DIETHYLANILINE',
'2,6-DIETHYLANILINE',
'DIBENZOPYRROLE',
'p-AMINODIPHENYL',
'DIPHENYLAMINE',
'1,3-DIPHENYLTRIAZENE',
'p-AMINODIPHENYLAMINE',
'BENZIDINE',
'HYDRAZOBENZENE',
'ACRIDINE',
"N,N'-DIPHENYL-p-PHENYLENEDIAMINE",
'ETHYLENEIMINE',
'ETHYLENEDIAMINE',
'ALLYLAMINE',
'PROPYLENEIMINE',
'1,2-PROPANEDIAMINE',
'PYRROLE',
'PYRROLIDINE',
'PIPERAZINE',
'DIETHYLENE TRIAMINE',
'N-METHYLPYRROLE',
'N-METHYLPYRROLIDINE',
'PIPERIDINE',
'DIALLYLAMINE',
'TRIETHYLENEDIAMINE',
'HEXAMETHYLENETETRAMINE',
'CYCLOHEXYLAMINE',
'HEXAMETHYLENEIMINE',
'N-AMINOETHYL PIPERAZINE',
'HEXAMETHYLENEDIAMINE',
'TRIETHYLENE TETRAMINE',
'N-METHYLCYCLOHEXYLAMINE',
'INDOLE',
'TETRAETHYLENEPENTAMINE',
'p-AMINOAZOBENZENE',
'DICYCLOHEXYLAMINE',
'DEHYDROABIETYLAMINE',
'CYANOGEN CHLORIDE',
'HYDROGEN CYANIDE',
'ACETONITRILE',
'DICYANDIAMIDE',
'CYANOGEN',
'MALONONITRILE',
'ACRYLONITRILE',
'PROPIONITRILE',
'SUCCINONITRILE',
'cis-CROTONITRILE',
'trans-CROTONITRILE',
'METHACRYLONITRILE',
'VINYLACETONITRILE',
"2,2'-IMINOBIS-ACETONITRILE",
'n-BUTYRONITRILE',
'ISOBUTYRONITRILE',
'GLUTARONITRILE',
'VALERONITRILE',
'cis-DICYANO-1-BUTENE',
'trans-DICYANO-1-BUTENE',
'1,4-DICYANO-2-BUTENE',
'2,2\',2"-NITRILOTRIS-ACETONITRILE',
'ADIPONITRILE',
'METHYLGLUTARONITRILE',
'HEXANENITRILE',
'BENZONITRILE',
'NITROMETHANE',
'TETRANITROMETHANE',
'NITROETHANE',
'1-NITROPROPANE',
'2-NITROPROPANE',
'1,3,5-TRINITROBENZENE',
'm-DINITROBENZENE',
'o-DINITROBENZENE',
'p-DINITROBENZENE',
'NITROBENZENE',
'2,4,6-TRINITROTOLUENE',
'TETRYL',
'2,4-DINITROTOLUENE',
'2,5-DINITROTOLUENE',
'2,6-DINITROTOLUENE',
'3,4-DINITROTOLUENE',
'3,5-DINITROTOLUENE',
'm-NITROTOLUENE',
'o-NITROTOLUENE',
'p-NITROTOLUENE',
'METHYL ISOCYANATE',
'n-BUTYL ISOCYANATE',
'PHENYL ISOCYANATE',
'CYCLOHEXYL ISOCYANATE',
'TOLUENE DIISOCYANATE',
'1,5-NAPHTHALENE DIISOCYANATE',
"DIPHENYLMETHANE-4,4'-DIISOCYANATE",
'METHYL MERCAPTAN',
'ETHYL MERCAPTAN',
'1,2-ETHANEDITHIOL',
'ISOPROPYL MERCAPTAN',
'n-PROPYL MERCAPTAN',
'n-BUTYL MERCAPTAN',
'Sec-BUTYL MERCAPTAN',
'tert-BUTYL MERCAPTAN',
'ISOBUTYL MERCAPTAN',
'n-PENTYL MERCAPTAN',
'PHENYL MERCAPTAN',
'CYCLOHEXYL MERCAPTAN',
'n-HEXYL MERCAPTAN',
'BENZYL MERCAPTAN',
'n-HEPTYL MERCAPTAN',
'n-OCTYL MERCAPTAN',
'tert-OCTYL MERCAPTAN',
'n-NONYL MERCAPTAN',
'n-DECYL MERCAPTAN',
...]
In [ ]:
In [12]:
#components = ["ISOBUTANE", "CARBON DIOXIDE", 'METHANE', "ETHANE", "3-METHYLHEPTANE", "n-PENTACOSANE",
# "NAPHTHALENE", "m-ETHYLTOLUENE", "2-METHYL-1-HEXENE"]
components = name_componets
NMODEL = "PR"
ICALC = "constants_eps"
component_eos_list = np.zeros((len(components),4))
for index, component in enumerate(components):
properties_component = properties_data.selec_component(component)
pt.print_properties_component(component, properties_component)
dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
properties_component[1]['Omega'], properties_component[1]['Vc']])
component_eos = pt.models_eos_cal(NMODEL, ICALC, dinputs)
component_eos_list[index] = component_eos
#components_table_PR = pd.DataFrame(component_eos_list, index=components, columns=['ac', 'b', 'rm', 'del1'])
#print(components_table_PR)
Component = METHANE
Acentric_factor = 0.0115
Critical_Temperature = 190.564 K
Critical_Pressure = 45.389 Bar
Critical_Volume = 0.09860000000000001 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHANE
Acentric_factor = 0.0995
Critical_Temperature = 305.32 K
Critical_Pressure = 48.083 Bar
Critical_Volume = 0.14550000000000002 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPANE
Acentric_factor = 0.15230000000000002
Critical_Temperature = 369.83 K
Critical_Pressure = 41.924 Bar
Critical_Volume = 0.2 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTANE
Acentric_factor = 0.20020000000000002
Critical_Temperature = 425.12 K
Critical_Pressure = 37.464 Bar
Critical_Volume = 0.255 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTANE
Acentric_factor = 0.2515
Critical_Temperature = 469.7 K
Critical_Pressure = 33.259 Bar
Critical_Volume = 0.313 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXANE
Acentric_factor = 0.3013
Critical_Temperature = 507.6 K
Critical_Pressure = 29.854 Bar
Critical_Volume = 0.371 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTANE
Acentric_factor = 0.34950000000000003
Critical_Temperature = 540.2 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.428 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTANE
Acentric_factor = 0.3996
Critical_Temperature = 568.7 K
Critical_Pressure = 24.574 Bar
Critical_Volume = 0.486 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONANE
Acentric_factor = 0.4435
Critical_Temperature = 594.6 K
Critical_Pressure = 22.601 Bar
Critical_Volume = 0.544 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECANE
Acentric_factor = 0.4923
Critical_Temperature = 617.7 K
Critical_Pressure = 20.824 Bar
Critical_Volume = 0.6000000000000001 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-UNDECANE
Acentric_factor = 0.5303
Critical_Temperature = 639.0 K
Critical_Pressure = 19.245 Bar
Critical_Volume = 0.659 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DODECANE
Acentric_factor = 0.5764
Critical_Temperature = 658.0 K
Critical_Pressure = 17.962 Bar
Critical_Volume = 0.716 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TRIDECANE
Acentric_factor = 0.6174000000000001
Critical_Temperature = 675.0 K
Critical_Pressure = 16.58 Bar
Critical_Volume = 0.775 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TETRADECANE
Acentric_factor = 0.643
Critical_Temperature = 693.0 K
Critical_Pressure = 15.495 Bar
Critical_Volume = 0.83 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTADECANE
Acentric_factor = 0.6863
Critical_Temperature = 708.0 K
Critical_Pressure = 14.606 Bar
Critical_Volume = 0.889 cm3/mol
Compressibility_factor_Z = 0.224
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXADECANE
Acentric_factor = 0.7174
Critical_Temperature = 723.0 K
Critical_Pressure = 13.817 Bar
Critical_Volume = 0.9440000000000001 cm3/mol
Compressibility_factor_Z = 0.22
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTADECANE
Acentric_factor = 0.7697
Critical_Temperature = 736.0 K
Critical_Pressure = 13.225 Bar
Critical_Volume = 1.0 cm3/mol
Compressibility_factor_Z = 0.219
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTADECANE
Acentric_factor = 0.8114
Critical_Temperature = 747.0 K
Critical_Pressure = 12.534 Bar
Critical_Volume = 1.06 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONADECANE
Acentric_factor = 0.8522000000000001
Critical_Temperature = 758.0 K
Critical_Pressure = 11.942 Bar
Critical_Volume = 1.12 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-EICOSANE
Acentric_factor = 0.9069
Critical_Temperature = 768.0 K
Critical_Pressure = 11.448 Bar
Critical_Volume = 1.17 cm3/mol
Compressibility_factor_Z = 0.213
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HENEICOSANE
Acentric_factor = 0.9420000000000001
Critical_Temperature = 778.0 K
Critical_Pressure = 10.955 Bar
Critical_Volume = 1.23 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DOCOSANE
Acentric_factor = 0.973
Critical_Temperature = 787.0 K
Critical_Pressure = 10.461 Bar
Critical_Volume = 1.29 cm3/mol
Compressibility_factor_Z = 0.209
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TRICOSANE
Acentric_factor = 1.0262
Critical_Temperature = 796.0 K
Critical_Pressure = 10.067 Bar
Critical_Volume = 1.35 cm3/mol
Compressibility_factor_Z = 0.20800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TETRACOSANE
Acentric_factor = 1.071
Critical_Temperature = 804.0 K
Critical_Pressure = 9.672 Bar
Critical_Volume = 1.41 cm3/mol
Compressibility_factor_Z = 0.20700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTACOSANE
Acentric_factor = 1.1053
Critical_Temperature = 812.0 K
Critical_Pressure = 9.376 Bar
Critical_Volume = 1.46 cm3/mol
Compressibility_factor_Z = 0.20500000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXACOSANE
Acentric_factor = 1.1544
Critical_Temperature = 819.0 K
Critical_Pressure = 8.981 Bar
Critical_Volume = 1.52 cm3/mol
Compressibility_factor_Z = 0.203
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTACOSANE
Acentric_factor = 1.2375
Critical_Temperature = 832.0 K
Critical_Pressure = 8.389 Bar
Critical_Volume = 1.63 cm3/mol
Compressibility_factor_Z = 0.2
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TRIACONTANE
Acentric_factor = 1.2986
Critical_Temperature = 844.0 K
Critical_Pressure = 7.895 Bar
Critical_Volume = 1.75 cm3/mol
Compressibility_factor_Z = 0.2
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DOTRIACONTANE
Acentric_factor = 1.3765
Critical_Temperature = 855.0 K
Critical_Pressure = 7.402 Bar
Critical_Volume = 1.86 cm3/mol
Compressibility_factor_Z = 0.196
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXATRIACONTANE
Acentric_factor = 1.526
Critical_Temperature = 874.0 K
Critical_Pressure = 6.711 Bar
Critical_Volume = 2.09 cm3/mol
Compressibility_factor_Z = 0.196
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTANE
Acentric_factor = 0.18080000000000002
Critical_Temperature = 408.14 K
Critical_Pressure = 36.003 Bar
Critical_Volume = 0.2627 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPENTANE
Acentric_factor = 0.2275
Critical_Temperature = 460.43 K
Critical_Pressure = 33.368 Bar
Critical_Volume = 0.3058 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLPENTANE
Acentric_factor = 0.27740000000000004
Critical_Temperature = 497.5 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.3664 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLPENTANE
Acentric_factor = 0.2737
Critical_Temperature = 504.43 K
Critical_Pressure = 30.831 Bar
Critical_Volume = 0.3664 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLHEXANE
Acentric_factor = 0.3277
Critical_Temperature = 530.37 K
Critical_Pressure = 26.982 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLHEXANE
Acentric_factor = 0.3216
Critical_Temperature = 535.25 K
Critical_Pressure = 27.772 Bar
Critical_Volume = 0.404 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLHEPTANE
Acentric_factor = 0.37720000000000004
Critical_Temperature = 559.64 K
Critical_Pressure = 24.515 Bar
Critical_Volume = 0.488 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLHEPTANE
Acentric_factor = 0.3718
Critical_Temperature = 563.67 K
Critical_Pressure = 25.127 Bar
Critical_Volume = 0.464 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYLHEPTANE
Acentric_factor = 0.37060000000000004
Critical_Temperature = 561.74 K
Critical_Pressure = 25.088 Bar
Critical_Volume = 0.47600000000000003 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLOCTANE
Acentric_factor = 0.4212
Critical_Temperature = 586.75 K
Critical_Pressure = 22.601 Bar
Critical_Volume = 0.541 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLOCTANE
Acentric_factor = 0.4123
Critical_Temperature = 590.15 K
Critical_Pressure = 23.094 Bar
Critical_Volume = 0.529 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYLOCTANE
Acentric_factor = 0.41290000000000004
Critical_Temperature = 587.65 K
Critical_Pressure = 23.094 Bar
Critical_Volume = 0.523 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLNONANE
Acentric_factor = 0.4723
Critical_Temperature = 610.0 K
Critical_Pressure = 20.923000000000002 Bar
Critical_Volume = 0.583 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLNONANE
Acentric_factor = 0.46490000000000004
Critical_Temperature = 613.0 K
Critical_Pressure = 21.318 Bar
Critical_Volume = 0.583 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYLNONANE
Acentric_factor = 0.4651
Critical_Temperature = 610.0 K
Critical_Pressure = 21.318 Bar
Critical_Volume = 0.583 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 5-METHYLNONANE
Acentric_factor = 0.4562
Critical_Temperature = 610.0 K
Critical_Pressure = 21.318 Bar
Critical_Volume = 0.583 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NEOPENTANE
Acentric_factor = 0.19640000000000002
Critical_Temperature = 433.78 K
Critical_Pressure = 31.572 Bar
Critical_Volume = 0.30360000000000004 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYLBUTANE
Acentric_factor = 0.23500000000000001
Critical_Temperature = 488.78 K
Critical_Pressure = 30.407 Bar
Critical_Volume = 0.359 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYLBUTANE
Acentric_factor = 0.2461
Critical_Temperature = 499.98 K
Critical_Pressure = 30.861 Bar
Critical_Volume = 0.3578 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYLPENTANE
Acentric_factor = 0.2879
Critical_Temperature = 520.5 K
Critical_Pressure = 27.37 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYLPENTANE
Acentric_factor = 0.2957
Critical_Temperature = 537.35 K
Critical_Pressure = 28.7 Bar
Critical_Volume = 0.393 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DIMETHYLPENTANE
Acentric_factor = 0.3014
Critical_Temperature = 519.79 K
Critical_Pressure = 27.012 Bar
Critical_Volume = 0.418 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,3-DIMETHYLPENTANE
Acentric_factor = 0.2672
Critical_Temperature = 536.4 K
Critical_Pressure = 29.07 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYLHEXANE
Acentric_factor = 0.3378
Critical_Temperature = 549.8 K
Critical_Pressure = 24.969 Bar
Critical_Volume = 0.47800000000000004 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYLHEXANE
Acentric_factor = 0.3472
Critical_Temperature = 563.4 K
Critical_Pressure = 25.956 Bar
Critical_Volume = 0.4682 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DIMETHYLHEXANE
Acentric_factor = 0.3436
Critical_Temperature = 553.5 K
Critical_Pressure = 25.265 Bar
Critical_Volume = 0.47200000000000003 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DIMETHYLHEXANE
Acentric_factor = 0.35760000000000003
Critical_Temperature = 550.0 K
Critical_Pressure = 24.574 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,3-DIMETHYLHEXANE
Acentric_factor = 0.32020000000000004
Critical_Temperature = 562.0 K
Critical_Pressure = 26.153 Bar
Critical_Volume = 0.4428 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,4-DIMETHYLHEXANE
Acentric_factor = 0.3381
Critical_Temperature = 568.8 K
Critical_Pressure = 26.548000000000002 Bar
Critical_Volume = 0.4662 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYLHEPTANE
Acentric_factor = 0.3899
Critical_Temperature = 576.8 K
Critical_Pressure = 23.193 Bar
Critical_Volume = 0.519 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIMETHYLHEPTANE
Acentric_factor = 0.3927
Critical_Temperature = 579.0 K
Critical_Pressure = 22.699 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYLOCTANE
Acentric_factor = 0.4288
Critical_Temperature = 602.0 K
Critical_Pressure = 21.318 Bar
Critical_Volume = 0.5740000000000001 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYLOCTANE
Acentric_factor = 0.43270000000000003
Critical_Temperature = 613.0 K
Critical_Pressure = 21.811 Bar
Critical_Volume = 0.5750000000000001 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DIMETHYLOCTANE
Acentric_factor = 0.4345
Critical_Temperature = 600.0 K
Critical_Pressure = 21.416 Bar
Critical_Volume = 0.5750000000000001 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DIMETHYLOCTANE
Acentric_factor = 0.4403
Critical_Temperature = 603.0 K
Critical_Pressure = 21.416 Bar
Critical_Volume = 0.5750000000000001 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIMETHYLOCTANE
Acentric_factor = 0.43860000000000005
Critical_Temperature = 606.0 K
Critical_Pressure = 21.416 Bar
Critical_Volume = 0.5750000000000001 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,7-DIMETHYLOCTANE
Acentric_factor = 0.442
Critical_Temperature = 604.0 K
Critical_Pressure = 21.021 Bar
Critical_Volume = 0.5750000000000001 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-ETHYLPENTANE
Acentric_factor = 0.3094
Critical_Temperature = 540.64 K
Critical_Pressure = 28.53 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,3-TRIMETHYLBUTANE
Acentric_factor = 0.2504
Critical_Temperature = 531.17 K
Critical_Pressure = 29.15 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-ETHYLHEXANE
Acentric_factor = 0.3628
Critical_Temperature = 565.4 K
Critical_Pressure = 25.759 Bar
Critical_Volume = 0.4551 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-3-ETHYLPENTANE
Acentric_factor = 0.3294
Critical_Temperature = 567.0 K
Critical_Pressure = 26.647 Bar
Critical_Volume = 0.4428 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-3-ETHYLPENTANE
Acentric_factor = 0.305
Critical_Temperature = 576.5 K
Critical_Pressure = 27.733 Bar
Critical_Volume = 0.4551 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,3,3-TETRAMETHYLBUTANE
Acentric_factor = 0.245
Critical_Temperature = 568.0 K
Critical_Pressure = 28.325 Bar
Critical_Volume = 0.461 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,3-TRIMETHYLPENTANE
Acentric_factor = 0.29710000000000003
Critical_Temperature = 563.5 K
Critical_Pressure = 26.943 Bar
Critical_Volume = 0.436 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,4-TRIMETHYLPENTANE
Acentric_factor = 0.3022
Critical_Temperature = 543.96 K
Critical_Pressure = 25.344 Bar
Critical_Volume = 0.468 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3,3-TRIMETHYLPENTANE
Acentric_factor = 0.2903
Critical_Temperature = 573.5 K
Critical_Pressure = 27.831 Bar
Critical_Volume = 0.4551 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3,4-TRIMETHYLPENTANE
Acentric_factor = 0.3161
Critical_Temperature = 566.3 K
Critical_Pressure = 26.943 Bar
Critical_Volume = 0.4606 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,3-DIETHYLPENTANE
Acentric_factor = 0.3381
Critical_Temperature = 610.05 K
Critical_Pressure = 26.4 Bar
Critical_Volume = 0.47300000000000003 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYL-3-ETHYLPENTANE
Acentric_factor = 0.33530000000000004
Critical_Temperature = 590.0 K
Critical_Pressure = 25.364 Bar
Critical_Volume = 0.511 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DIMETHYL-3-ETHYLPENTANE
Acentric_factor = 0.353
Critical_Temperature = 591.0 K
Critical_Pressure = 24.969 Bar
Critical_Volume = 0.512 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-ETHYLHEPTANE
Acentric_factor = 0.40800000000000003
Critical_Temperature = 590.0 K
Critical_Pressure = 23.587 Bar
Critical_Volume = 0.528 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,3,3-TETRAMETHYLPENTANE
Acentric_factor = 0.28
Critical_Temperature = 610.85 K
Critical_Pressure = 27.0 Bar
Critical_Volume = 0.47800000000000004 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,3,4-TETRAMETHYLPENTANE
Acentric_factor = 0.3106
Critical_Temperature = 592.15 K
Critical_Pressure = 25.3 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,4,4-TETRAMETHYLPENTANE
Acentric_factor = 0.3159
Critical_Temperature = 571.35 K
Critical_Pressure = 23.3 Bar
Critical_Volume = 0.504 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3,3,4-TETRAMETHYLPENTANE
Acentric_factor = 0.31270000000000003
Critical_Temperature = 607.7 K
Critical_Pressure = 26.805 Bar
Critical_Volume = 0.493 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2,5-TRIMETHYLHEXANE
Acentric_factor = 0.35960000000000003
Critical_Temperature = 568.05 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.519 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4,4-TRIMETHYLHEXANE
Acentric_factor = 0.3522
Critical_Temperature = 581.0 K
Critical_Pressure = 24.278 Bar
Critical_Volume = 0.511 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOPROPANE
Acentric_factor = 0.1269
Critical_Temperature = 397.91 K
Critical_Pressure = 54.231 Bar
Critical_Volume = 0.1628 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOBUTANE
Acentric_factor = 0.1847
Critical_Temperature = 459.93 K
Critical_Pressure = 49.149 Bar
Critical_Volume = 0.21 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOPENTANE
Acentric_factor = 0.19590000000000002
Critical_Temperature = 511.76 K
Critical_Pressure = 44.431 Bar
Critical_Volume = 0.258 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXANE
Acentric_factor = 0.2096
Critical_Temperature = 553.58 K
Critical_Pressure = 40.197 Bar
Critical_Volume = 0.308 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEPTANE
Acentric_factor = 0.243
Critical_Temperature = 604.3 K
Critical_Pressure = 37.9 Bar
Critical_Volume = 0.359 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOOCTANE
Acentric_factor = 0.2904
Critical_Temperature = 640.0 K
Critical_Pressure = 34.345 Bar
Critical_Volume = 0.396 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLCYCLOPENTANE
Acentric_factor = 0.23020000000000002
Critical_Temperature = 532.79 K
Critical_Pressure = 37.355 Bar
Critical_Volume = 0.319 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIMETHYLCYCLOPENTANE
Acentric_factor = 0.27240000000000003
Critical_Temperature = 547.0 K
Critical_Pressure = 33.999 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,2-DIMETHYLCYCLOPENTANE
Acentric_factor = 0.2662
Critical_Temperature = 565.15 K
Critical_Pressure = 34.0 Bar
Critical_Volume = 0.37 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,2-DIMETHYLCYCLOPENTANE
Acentric_factor = 0.26980000000000004
Critical_Temperature = 553.15 K
Critical_Pressure = 34.0 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis 1,3-DIMETHYLCYCLOPENTANE
Acentric_factor = 0.2743
Critical_Temperature = 551.0 K
Critical_Pressure = 33.999 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans 1,3-DIMETHYLCYCLOPENTANE
Acentric_factor = 0.26990000000000003
Critical_Temperature = 553.0 K
Critical_Pressure = 33.999 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLCYCLOPENTANE
Acentric_factor = 0.2716
Critical_Temperature = 569.52 K
Critical_Pressure = 33.536 Bar
Critical_Volume = 0.375 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYLCYCLOPENTANE
Acentric_factor = 0.303
Critical_Temperature = 593.0 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.42 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYL-1-ETHYLCYCLOPENTANE
Acentric_factor = 0.32980000000000004
Critical_Temperature = 582.0 K
Critical_Pressure = 29.805 Bar
Critical_Volume = 0.428 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYLCYCLOPENTANE
Acentric_factor = 0.3266
Critical_Temperature = 596.0 K
Critical_Pressure = 29.805 Bar
Critical_Volume = 0.428 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYLCYCLOPENTANE
Acentric_factor = 0.3719
Critical_Temperature = 621.0 K
Critical_Pressure = 26.844 Bar
Critical_Volume = 0.483 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLCYCLOHEXANE
Acentric_factor = 0.23500000000000001
Critical_Temperature = 572.19 K
Critical_Pressure = 34.256 Bar
Critical_Volume = 0.368 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.2326
Critical_Temperature = 591.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.45 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,2-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.23240000000000002
Critical_Temperature = 606.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,2-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.2379
Critical_Temperature = 596.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,3-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.2366
Critical_Temperature = 591.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.45 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,3-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.2335
Critical_Temperature = 598.0 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,4-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.2311
Critical_Temperature = 598.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,4-DIMETHYLCYCLOHEXANE
Acentric_factor = 0.23700000000000002
Critical_Temperature = 590.15 K
Critical_Pressure = 29.0 Bar
Critical_Volume = 0.45 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLCYCLOHEXANE
Acentric_factor = 0.24550000000000002
Critical_Temperature = 609.15 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.43 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYLCYCLOHEXANE
Acentric_factor = 0.3295
Critical_Temperature = 627.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.5024000000000001 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYLCYCLOHEXANE
Acentric_factor = 0.2595
Critical_Temperature = 639.15 K
Critical_Pressure = 27.703 Bar
Critical_Volume = 0.47700000000000004 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYLCYCLOHEXANE
Acentric_factor = 0.2743
Critical_Temperature = 667.0 K
Critical_Pressure = 25.364 Bar
Critical_Volume = 0.534 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYLCYCLOHEXANE
Acentric_factor = 0.6627000000000001
Critical_Temperature = 751.25 K
Critical_Pressure = 13.817 Bar
Critical_Volume = 0.858 cm3/mol
Compressibility_factor_Z = 0.227
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-DECAHYDRONAPHTHALENE
Acentric_factor = 0.2939
Critical_Temperature = 702.25 K
Critical_Pressure = 31.976 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-DECAHYDRONAPHTHALENE
Acentric_factor = 0.27240000000000003
Critical_Temperature = 687.05 K
Critical_Pressure = 29.312 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BICYCLOHEXYL
Acentric_factor = 0.42760000000000004
Critical_Temperature = 727.0 K
Critical_Pressure = 25.265 Bar
Critical_Volume = 0.598 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENE
Acentric_factor = 0.08650000000000001
Critical_Temperature = 282.34 K
Critical_Pressure = 49.741 Bar
Critical_Volume = 0.131 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPYLENE
Acentric_factor = 0.1398
Critical_Temperature = 365.57 K
Critical_Pressure = 46.04 Bar
Critical_Volume = 0.1884 cm3/mol
Compressibility_factor_Z = 0.289
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BUTENE
Acentric_factor = 0.1905
Critical_Temperature = 419.95 K
Critical_Pressure = 39.901 Bar
Critical_Volume = 0.2393 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTENE
Acentric_factor = 0.2311
Critical_Temperature = 464.78 K
Critical_Pressure = 34.671 Bar
Critical_Volume = 0.295 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXENE
Acentric_factor = 0.28040000000000004
Critical_Temperature = 504.03 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.354 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTENE
Acentric_factor = 0.331
Critical_Temperature = 537.29 K
Critical_Pressure = 27.93 Bar
Critical_Volume = 0.41300000000000003 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTENE
Acentric_factor = 0.3764
Critical_Temperature = 566.65 K
Critical_Pressure = 25.344 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NONENE
Acentric_factor = 0.4171
Critical_Temperature = 593.25 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.528 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DECENE
Acentric_factor = 0.48
Critical_Temperature = 616.4 K
Critical_Pressure = 21.89 Bar
Critical_Volume = 0.584 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-UNDECENE
Acentric_factor = 0.5175000000000001
Critical_Temperature = 638.0 K
Critical_Pressure = 20.035 Bar
Critical_Volume = 0.642 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DODECENE
Acentric_factor = 0.5705
Critical_Temperature = 657.6 K
Critical_Pressure = 19.048 Bar
Critical_Volume = 0.684 cm3/mol
Compressibility_factor_Z = 0.241
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-TRIDECENE
Acentric_factor = 0.6117
Critical_Temperature = 675.0 K
Critical_Pressure = 17.469 Bar
Critical_Volume = 0.756 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-TETRADECENE
Acentric_factor = 0.6482
Critical_Temperature = 692.0 K
Critical_Pressure = 16.383 Bar
Critical_Volume = 0.8170000000000001 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTADECENE
Acentric_factor = 0.6837000000000001
Critical_Temperature = 708.0 K
Critical_Pressure = 15.495 Bar
Critical_Volume = 0.875 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXADECENE
Acentric_factor = 0.7319
Critical_Temperature = 722.0 K
Critical_Pressure = 14.606 Bar
Critical_Volume = 0.933 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTADECENE
Acentric_factor = 0.7527
Critical_Temperature = 736.0 K
Critical_Pressure = 13.916 Bar
Critical_Volume = 0.992 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTADECENE
Acentric_factor = 0.7901
Critical_Temperature = 748.0 K
Critical_Pressure = 13.225 Bar
Critical_Volume = 1.05 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NONADECENE
Acentric_factor = 0.8409000000000001
Critical_Temperature = 760.0 K
Critical_Pressure = 12.633 Bar
Critical_Volume = 1.1 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-EICOSENE
Acentric_factor = 0.8768
Critical_Temperature = 771.0 K
Critical_Pressure = 12.04 Bar
Critical_Volume = 1.16 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-BUTENE
Acentric_factor = 0.2048
Critical_Temperature = 435.58 K
Critical_Pressure = 41.875 Bar
Critical_Volume = 0.2338 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-BUTENE
Acentric_factor = 0.2177
Critical_Temperature = 428.63 K
Critical_Pressure = 40.464 Bar
Critical_Volume = 0.23770000000000002 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-PENTENE
Acentric_factor = 0.2452
Critical_Temperature = 475.2 K
Critical_Pressure = 35.924 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-PENTENE
Acentric_factor = 0.2484
Critical_Temperature = 474.2 K
Critical_Pressure = 36.121 Bar
Critical_Volume = 0.293 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-HEXENE
Acentric_factor = 0.2722
Critical_Temperature = 513.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.359 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-HEXENE
Acentric_factor = 0.26130000000000003
Critical_Temperature = 513.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-3-HEXENE
Acentric_factor = 0.2787
Critical_Temperature = 509.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-3-HEXENE
Acentric_factor = 0.2854
Critical_Temperature = 509.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-HEPTENE
Acentric_factor = 0.2942
Critical_Temperature = 549.0 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.424 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-HEPTENE
Acentric_factor = 0.3372
Critical_Temperature = 543.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-3-HEPTENE
Acentric_factor = 0.2949
Critical_Temperature = 545.0 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-3-HEPTENE
Acentric_factor = 0.3341
Critical_Temperature = 540.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-OCTENE
Acentric_factor = 0.3889
Critical_Temperature = 572.0 K
Critical_Pressure = 25.561 Bar
Critical_Volume = 0.461 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-3-OCTENE
Acentric_factor = 0.38
Critical_Temperature = 569.0 K
Critical_Pressure = 25.561 Bar
Critical_Volume = 0.461 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-4-OCTENE
Acentric_factor = 0.3854
Critical_Temperature = 568.0 K
Critical_Pressure = 25.561 Bar
Critical_Volume = 0.461 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-OCTENE
Acentric_factor = 0.33840000000000003
Critical_Temperature = 577.0 K
Critical_Pressure = 25.463 Bar
Critical_Volume = 0.484 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-3-OCTENE
Acentric_factor = 0.3438
Critical_Temperature = 574.0 K
Critical_Pressure = 25.463 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-4-OCTENE
Acentric_factor = 0.3393
Critical_Temperature = 573.0 K
Critical_Pressure = 25.463 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTENE
Acentric_factor = 0.1943
Critical_Temperature = 417.9 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.2389 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-BUTENE
Acentric_factor = 0.23
Critical_Temperature = 465.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-2-BUTENE
Acentric_factor = 0.2753
Critical_Temperature = 471.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1-BUTENE
Acentric_factor = 0.22970000000000002
Critical_Temperature = 450.37 K
Critical_Pressure = 34.74 Bar
Critical_Volume = 0.30210000000000004 cm3/mol
Compressibility_factor_Z = 0.28400000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-PENTENE
Acentric_factor = 0.2406
Critical_Temperature = 507.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.359 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-2-PENTENE
Acentric_factor = 0.24450000000000002
Critical_Temperature = 514.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.363 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1-PENTENE
Acentric_factor = 0.264
Critical_Temperature = 495.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.3433 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-cis-2-PENTENE
Acentric_factor = 0.2585
Critical_Temperature = 515.0 K
Critical_Pressure = 32.472 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-trans-2-PENTENE
Acentric_factor = 0.2627
Critical_Temperature = 517.0 K
Critical_Pressure = 31.483 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYL-1-PENTENE
Acentric_factor = 0.2389
Critical_Temperature = 496.0 K
Critical_Pressure = 31.779 Bar
Critical_Volume = 0.34500000000000003 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYL-cis-2-PENTENE
Acentric_factor = 0.2442
Critical_Temperature = 499.0 K
Critical_Pressure = 31.779 Bar
Critical_Volume = 0.34600000000000003 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYL-trans-2-PENTENE
Acentric_factor = 0.25520000000000004
Critical_Temperature = 501.0 K
Critical_Pressure = 31.779 Bar
Critical_Volume = 0.34600000000000003 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-HEXENE
Acentric_factor = 0.3094
Critical_Temperature = 538.0 K
Critical_Pressure = 28.325 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1-HEXENE
Acentric_factor = 0.3057
Critical_Temperature = 528.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYL-1-HEXENE
Acentric_factor = 0.3024
Critical_Temperature = 534.0 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-HEPTENE
Acentric_factor = 0.3551
Critical_Temperature = 567.0 K
Critical_Pressure = 25.66 Bar
Critical_Volume = 0.453 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYL-1-BUTENE
Acentric_factor = 0.22690000000000002
Critical_Temperature = 500.0 K
Critical_Pressure = 31.779 Bar
Critical_Volume = 0.34900000000000003 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYL-2-BUTENE
Acentric_factor = 0.2333
Critical_Temperature = 524.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.372 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,3-DIMETHYL-1-BUTENE
Acentric_factor = 0.2257
Critical_Temperature = 480.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.333 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-1-BUTENE
Acentric_factor = 0.2277
Critical_Temperature = 512.0 K
Critical_Pressure = 31.187 Bar
Critical_Volume = 0.364 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-1-PENTENE
Acentric_factor = 0.3085
Critical_Temperature = 543.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-ETHYL-1-PENTENE
Acentric_factor = 0.30160000000000003
Critical_Temperature = 530.0 K
Critical_Pressure = 29.904 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3,3-TRIMETHYL-1-BUTENE
Acentric_factor = 0.2406
Critical_Temperature = 531.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.381 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYL-1-HEXENE
Acentric_factor = 0.3251
Critical_Temperature = 561.0 K
Critical_Pressure = 27.239 Bar
Critical_Volume = 0.445 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-1-HEXENE
Acentric_factor = 0.3799
Critical_Temperature = 574.0 K
Critical_Pressure = 30.299 Bar
Critical_Volume = 0.399 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4,4-TRIMETHYL-1-PENTENE
Acentric_factor = 0.2695
Critical_Temperature = 553.0 K
Critical_Pressure = 25.956 Bar
Critical_Volume = 0.465 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4,4-TRIMETHYL-2-PENTENE
Acentric_factor = 0.265
Critical_Temperature = 558.0 K
Critical_Pressure = 25.956 Bar
Critical_Volume = 0.47 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOPENTENE
Acentric_factor = 0.19590000000000002
Critical_Temperature = 507.0 K
Critical_Pressure = 47.392 Bar
Critical_Volume = 0.245 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXENE
Acentric_factor = 0.21230000000000002
Critical_Temperature = 560.4 K
Critical_Pressure = 42.931 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYLCYCLOPENTENE
Acentric_factor = 0.2318
Critical_Temperature = 542.0 K
Critical_Pressure = 40.76 Bar
Critical_Volume = 0.303 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLCYCLOPENTENE
Acentric_factor = 0.2296
Critical_Temperature = 526.0 K
Critical_Pressure = 40.76 Bar
Critical_Volume = 0.303 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYLCYCLOPENTENE
Acentric_factor = 0.23570000000000002
Critical_Temperature = 527.0 K
Critical_Pressure = 40.76 Bar
Critical_Volume = 0.303 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEPTENE
Acentric_factor = 0.25170000000000003
Critical_Temperature = 598.0 K
Critical_Pressure = 39.576 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOOCTENE
Acentric_factor = 0.28040000000000004
Critical_Temperature = 632.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.381 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPADIENE
Acentric_factor = 0.1315
Critical_Temperature = 393.15 K
Critical_Pressure = 50.234 Bar
Critical_Volume = 0.165 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-BUTADIENE
Acentric_factor = 0.16590000000000002
Critical_Temperature = 452.0 K
Critical_Pressure = 43.03 Bar
Critical_Volume = 0.22 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-BUTADIENE
Acentric_factor = 0.1895
Critical_Temperature = 425.17 K
Critical_Pressure = 42.211 Bar
Critical_Volume = 0.2204 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOPENTADIENE
Acentric_factor = 0.202
Critical_Temperature = 507.0 K
Critical_Pressure = 50.827 Bar
Critical_Volume = 0.225 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPRENE
Acentric_factor = 0.1583
Critical_Temperature = 484.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1,2-BUTADIENE
Acentric_factor = 0.1874
Critical_Temperature = 490.0 K
Critical_Pressure = 37.799 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-PENTADIENE
Acentric_factor = 0.1542
Critical_Temperature = 500.0 K
Critical_Pressure = 37.503 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,3-PENTADIENE
Acentric_factor = 0.147
Critical_Temperature = 499.0 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,3-PENTADIENE
Acentric_factor = 0.11620000000000001
Critical_Temperature = 500.0 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-PENTADIENE
Acentric_factor = 0.08370000000000001
Critical_Temperature = 479.0 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.303 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-PENTADIENE
Acentric_factor = 0.2184
Critical_Temperature = 497.0 K
Critical_Pressure = 37.503 Bar
Critical_Volume = 0.295 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-CYCLOHEXADIENE
Acentric_factor = 0.2308
Critical_Temperature = 558.0 K
Critical_Pressure = 46.681 Bar
Critical_Volume = 0.277 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-CYCLOHEXADIENE
Acentric_factor = 0.2048
Critical_Temperature = 569.0 K
Critical_Pressure = 46.681 Bar
Critical_Volume = 0.277 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLCYCLOPENTADIENE
Acentric_factor = 0.2376
Critical_Temperature = 541.0 K
Critical_Pressure = 43.721 Bar
Critical_Volume = 0.279 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYL-1,3-BUTADIENE
Acentric_factor = 0.2142
Critical_Temperature = 526.0 K
Critical_Pressure = 34.74 Bar
Critical_Volume = 0.315 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-HEXADIENE
Acentric_factor = 0.28
Critical_Temperature = 510.0 K
Critical_Pressure = 33.062 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,5-HEXADIENE
Acentric_factor = 0.2321
Critical_Temperature = 507.0 K
Critical_Pressure = 33.062 Bar
Critical_Volume = 0.339 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis,trans-2,4-HEXADIENE
Acentric_factor = 0.27540000000000003
Critical_Temperature = 538.0 K
Critical_Pressure = 33.062 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans,trans-2,4-HEXADIENE
Acentric_factor = 0.2821
Critical_Temperature = 535.0 K
Critical_Pressure = 33.062 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,5-CYCLOOCTADIENE
Acentric_factor = 0.2858
Critical_Temperature = 645.0 K
Critical_Pressure = 38.49 Bar
Critical_Volume = 0.366 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYLCYCLOHEXENE
Acentric_factor = 0.3294
Critical_Temperature = 599.0 K
Critical_Pressure = 33.851 Bar
Critical_Volume = 0.379 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DIMETHYL-1,5-HEXADIENE
Acentric_factor = 0.32380000000000003
Critical_Temperature = 567.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.445 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DIMETHYL-2,4-HEXADIENE
Acentric_factor = 0.3255
Critical_Temperature = 596.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.425 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICYCLOPENTADIENE
Acentric_factor = 0.28800000000000003
Critical_Temperature = 660.0 K
Critical_Pressure = 30.2 Bar
Critical_Volume = 0.445 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETYLENE
Acentric_factor = 0.18730000000000002
Critical_Temperature = 308.32 K
Critical_Pressure = 60.587 Bar
Critical_Volume = 0.113 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLACETYLENE
Acentric_factor = 0.21610000000000001
Critical_Temperature = 402.39 K
Critical_Pressure = 55.544 Bar
Critical_Volume = 0.164 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYLACETYLENE
Acentric_factor = 0.10690000000000001
Critical_Temperature = 454.0 K
Critical_Pressure = 47.964 Bar
Critical_Volume = 0.20500000000000002 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYLACETYLENE
Acentric_factor = 0.23850000000000002
Critical_Temperature = 473.2 K
Critical_Pressure = 48.063 Bar
Critical_Volume = 0.221 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLACETYLENE
Acentric_factor = 0.2469
Critical_Temperature = 443.2 K
Critical_Pressure = 48.853 Bar
Critical_Volume = 0.222 cm3/mol
Compressibility_factor_Z = 0.298
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-BUTENE-3-YNE
Acentric_factor = 0.137
Critical_Temperature = 492.0 K
Critical_Pressure = 43.227 Bar
Critical_Volume = 0.248 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTENE-3-YNE
Acentric_factor = 0.2523
Critical_Temperature = 520.0 K
Critical_Pressure = 43.425 Bar
Critical_Volume = 0.256 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTENE-4-YNE
Acentric_factor = 0.1786
Critical_Temperature = 503.0 K
Critical_Pressure = 43.425 Bar
Critical_Volume = 0.256 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1-BUTYNE
Acentric_factor = 0.30810000000000004
Critical_Temperature = 463.2 K
Critical_Pressure = 41.451 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.30000000000000004
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTYNE
Acentric_factor = 0.2899
Critical_Temperature = 481.2 K
Critical_Pressure = 41.155 Bar
Critical_Volume = 0.277 cm3/mol
Compressibility_factor_Z = 0.289
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PENTYNE
Acentric_factor = 0.1752
Critical_Temperature = 519.0 K
Critical_Pressure = 39.773 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXYNE
Acentric_factor = 0.3327
Critical_Temperature = 516.2 K
Critical_Pressure = 35.727 Bar
Critical_Volume = 0.322 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-HEXYNE
Acentric_factor = 0.2214
Critical_Temperature = 549.0 K
Critical_Pressure = 34.838 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-HEXYNE
Acentric_factor = 0.21830000000000002
Critical_Temperature = 544.0 K
Critical_Pressure = 34.838 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTYNE
Acentric_factor = 0.2728
Critical_Temperature = 559.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.386 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTYNE
Acentric_factor = 0.3234
Critical_Temperature = 585.0 K
Critical_Pressure = 27.831 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZENE
Acentric_factor = 0.21
Critical_Temperature = 562.16 K
Critical_Pressure = 48.339 Bar
Critical_Volume = 0.259 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TOLUENE
Acentric_factor = 0.2621
Critical_Temperature = 591.8 K
Critical_Pressure = 40.523 Bar
Critical_Volume = 0.316 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLBENZENE
Acentric_factor = 0.30260000000000004
Critical_Temperature = 617.2 K
Critical_Pressure = 35.588 Bar
Critical_Volume = 0.374 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYLBENZENE
Acentric_factor = 0.3447
Critical_Temperature = 638.38 K
Critical_Pressure = 31.582 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYLBENZENE
Acentric_factor = 0.39380000000000004
Critical_Temperature = 660.55 K
Critical_Pressure = 28.492 Bar
Critical_Volume = 0.497 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTYLBENZENE
Acentric_factor = 0.4378
Critical_Temperature = 679.9 K
Critical_Pressure = 25.699 Bar
Critical_Volume = 0.55 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXYLBENZENE
Acentric_factor = 0.47900000000000004
Critical_Temperature = 698.0 K
Critical_Pressure = 23.489 Bar
Critical_Volume = 0.593 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTYLBENZENE
Acentric_factor = 0.5272
Critical_Temperature = 714.0 K
Critical_Pressure = 21.515 Bar
Critical_Volume = 0.648 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTYLBENZENE
Acentric_factor = 0.5670000000000001
Critical_Temperature = 729.0 K
Critical_Pressure = 19.936 Bar
Critical_Volume = 0.7030000000000001 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONYLBENZENE
Acentric_factor = 0.6331
Critical_Temperature = 741.0 K
Critical_Pressure = 18.702 Bar
Critical_Volume = 0.753 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYLBENZENE
Acentric_factor = 0.6797000000000001
Critical_Temperature = 753.0 K
Critical_Pressure = 17.469 Bar
Critical_Volume = 0.8130000000000001 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-UNDECYLBENZENE
Acentric_factor = 0.7333000000000001
Critical_Temperature = 764.0 K
Critical_Pressure = 16.501 Bar
Critical_Volume = 0.868 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DODECYLBENZENE
Acentric_factor = 0.7333000000000001
Critical_Temperature = 780.0 K
Critical_Pressure = 15.396 Bar
Critical_Volume = 0.923 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TRIDECYLBENZENE
Acentric_factor = 0.7799
Critical_Temperature = 790.0 K
Critical_Pressure = 14.606 Bar
Critical_Volume = 0.978 cm3/mol
Compressibility_factor_Z = 0.22
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TETRADECYLBENZENE
Acentric_factor = 0.8130000000000001
Critical_Temperature = 800.0 K
Critical_Pressure = 13.817 Bar
Critical_Volume = 1.03 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTADECYLBENZENE
Acentric_factor = 0.8567
Critical_Temperature = 809.0 K
Critical_Pressure = 13.126 Bar
Critical_Volume = 1.09 cm3/mol
Compressibility_factor_Z = 0.216
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXADECYLBENZENE
Acentric_factor = 0.8996000000000001
Critical_Temperature = 818.0 K
Critical_Pressure = 12.534 Bar
Critical_Volume = 1.1400000000000001 cm3/mol
Compressibility_factor_Z = 0.213
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTADECYLBENZENE
Acentric_factor = 0.9195000000000001
Critical_Temperature = 826.0 K
Critical_Pressure = 11.942 Bar
Critical_Volume = 1.2 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTADECYLBENZENE
Acentric_factor = 0.9505
Critical_Temperature = 834.0 K
Critical_Pressure = 11.448 Bar
Critical_Volume = 1.25 cm3/mol
Compressibility_factor_Z = 0.209
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-XYLENE
Acentric_factor = 0.3259
Critical_Temperature = 617.05 K
Critical_Pressure = 34.898 Bar
Critical_Volume = 0.376 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-XYLENE
Acentric_factor = 0.3104
Critical_Temperature = 630.33 K
Critical_Pressure = 36.852 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-XYLENE
Acentric_factor = 0.3215
Critical_Temperature = 616.23 K
Critical_Pressure = 34.651 Bar
Critical_Volume = 0.379 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CUMENE
Acentric_factor = 0.32580000000000003
Critical_Temperature = 631.1 K
Critical_Pressure = 31.67 Bar
Critical_Volume = 0.427 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-ETHYLTOLUENE
Acentric_factor = 0.3226
Critical_Temperature = 637.15 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-ETHYLTOLUENE
Acentric_factor = 0.2932
Critical_Temperature = 651.15 K
Critical_Pressure = 30.0 Bar
Critical_Volume = 0.46 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-ETHYLTOLUENE
Acentric_factor = 0.3663
Critical_Temperature = 640.23 K
Critical_Pressure = 31.907 Bar
Critical_Volume = 0.427 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MESITYLENE
Acentric_factor = 0.399
Critical_Temperature = 637.36 K
Critical_Pressure = 30.861 Bar
Critical_Volume = 0.433 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3-TRIMETHYLBENZENE
Acentric_factor = 0.3664
Critical_Temperature = 664.53 K
Critical_Pressure = 34.09 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,4-TRIMETHYLBENZENE
Acentric_factor = 0.3773
Critical_Temperature = 649.13 K
Critical_Pressure = 31.897 Bar
Critical_Volume = 0.43 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = sec-BUTYLBENZENE
Acentric_factor = 0.2791
Critical_Temperature = 664.54 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.497 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYLBENZENE
Acentric_factor = 0.2674
Critical_Temperature = 660.0 K
Critical_Pressure = 29.312 Bar
Critical_Volume = 0.492 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-CYMENE
Acentric_factor = 0.3411
Critical_Temperature = 657.0 K
Critical_Pressure = 28.917 Bar
Critical_Volume = 0.485 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-CYMENE
Acentric_factor = 0.3372
Critical_Temperature = 662.0 K
Critical_Pressure = 28.917 Bar
Critical_Volume = 0.489 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CYMENE
Acentric_factor = 0.3668
Critical_Temperature = 653.15 K
Critical_Pressure = 27.634 Bar
Critical_Volume = 0.497 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DIETHYLBENZENE
Acentric_factor = 0.354
Critical_Temperature = 663.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.488 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-DIETHYLBENZENE
Acentric_factor = 0.3395
Critical_Temperature = 668.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.502 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-DIETHYLBENZENE
Acentric_factor = 0.403
Critical_Temperature = 657.96 K
Critical_Pressure = 27.663 Bar
Critical_Volume = 0.497 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-m-XYLENE
Acentric_factor = 0.4066
Critical_Temperature = 671.0 K
Critical_Pressure = 29.805 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-p-XYLENE
Acentric_factor = 0.41140000000000004
Critical_Temperature = 663.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-ETHYL-o-XYLENE
Acentric_factor = 0.36210000000000003
Critical_Temperature = 680.0 K
Critical_Pressure = 30.891 Bar
Critical_Volume = 0.507 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-ETHYL-m-XYLENE
Acentric_factor = 0.41400000000000003
Critical_Temperature = 665.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-ETHYL-o-XYLENE
Acentric_factor = 0.41140000000000004
Critical_Temperature = 667.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 5-ETHYL-m-XYLENE
Acentric_factor = 0.4169
Critical_Temperature = 655.0 K
Critical_Pressure = 27.14 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYLBENZENE
Acentric_factor = 0.37970000000000004
Critical_Temperature = 650.15 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.456 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYL-2-n-PROPYLBENZENE
Acentric_factor = 0.40700000000000003
Critical_Temperature = 662.0 K
Critical_Pressure = 29.016 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYL-3-n-PROPYLBENZENE
Acentric_factor = 0.4128
Critical_Temperature = 654.0 K
Critical_Pressure = 27.733 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYL-4-n-PROPYLBENZENE
Acentric_factor = 0.41340000000000005
Critical_Temperature = 656.0 K
Critical_Pressure = 27.733 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3,4-TETRAMETHYLBENZENE
Acentric_factor = 0.4172
Critical_Temperature = 693.0 K
Critical_Pressure = 30.693 Bar
Critical_Volume = 0.47500000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3,5-TETRAMETHYLBENZENE
Acentric_factor = 0.4242
Critical_Temperature = 679.0 K
Critical_Pressure = 29.312 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,4,5-TETRAMETHYLBENZENE
Acentric_factor = 0.43410000000000004
Critical_Temperature = 675.15 K
Critical_Pressure = 29.016 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DIISOPROPYLBENZENE
Acentric_factor = 0.3587
Critical_Temperature = 684.0 K
Critical_Pressure = 24.18 Bar
Critical_Volume = 0.6000000000000001 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-DIISOPROPYLBENZENE
Acentric_factor = 0.39
Critical_Temperature = 689.0 K
Critical_Pressure = 24.18 Bar
Critical_Volume = 0.598 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-BUTYL ETHYLBENZENE
Acentric_factor = 0.43470000000000003
Critical_Temperature = 684.0 K
Critical_Pressure = 23.489 Bar
Critical_Volume = 0.605 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYNYLBENZENE
Acentric_factor = 0.22640000000000002
Critical_Temperature = 650.0 K
Critical_Pressure = 42.24 Bar
Critical_Volume = 0.332 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = STYRENE
Acentric_factor = 0.29710000000000003
Critical_Temperature = 636.0 K
Critical_Pressure = 37.898 Bar
Critical_Volume = 0.352 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = alpha-METHYLSTYRENE
Acentric_factor = 0.323
Critical_Temperature = 654.0 K
Critical_Pressure = 33.161 Bar
Critical_Volume = 0.399 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-METHYLSTYRENE
Acentric_factor = 0.3487
Critical_Temperature = 657.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.40700000000000003 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-METHYLSTYRENE
Acentric_factor = 0.3412
Critical_Temperature = 659.0 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.40700000000000003 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-METHYLSTYRENE
Acentric_factor = 0.3175
Critical_Temperature = 665.0 K
Critical_Pressure = 33.161 Bar
Critical_Volume = 0.431 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1-PROPENYLBENZENE
Acentric_factor = 0.3411
Critical_Temperature = 671.0 K
Critical_Pressure = 33.161 Bar
Critical_Volume = 0.40700000000000003 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1-PROPENYLBENZENE
Acentric_factor = 0.3393
Critical_Temperature = 670.0 K
Critical_Pressure = 33.161 Bar
Critical_Volume = 0.40700000000000003 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DIVINYLBENZENE
Acentric_factor = 0.3734
Critical_Temperature = 692.0 K
Critical_Pressure = 30.792 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PHENYLBUTENE-1
Acentric_factor = 0.3532
Critical_Temperature = 666.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.454 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-PHENYLBUTENE-2
Acentric_factor = 0.3564
Critical_Temperature = 685.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.47 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-PHENYLBUTENE-2
Acentric_factor = 0.361
Critical_Temperature = 654.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.464 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-ISOPROPENYLSTYRENE
Acentric_factor = 0.4068
Critical_Temperature = 741.0 K
Critical_Pressure = 27.436 Bar
Critical_Volume = 0.531 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYLBENZENE
Acentric_factor = 0.3783
Critical_Temperature = 744.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.529 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-BUTYLSTYRENE
Acentric_factor = 0.42160000000000003
Critical_Temperature = 709.0 K
Critical_Pressure = 24.476 Bar
Critical_Volume = 0.594 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-ISOBUTYLSTYRENE
Acentric_factor = 0.4631
Critical_Temperature = 735.0 K
Critical_Pressure = 23.489 Bar
Critical_Volume = 0.621 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NAPHTHALENE
Acentric_factor = 0.3022
Critical_Temperature = 748.35 K
Critical_Pressure = 39.98 Bar
Critical_Volume = 0.41300000000000003 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3,4-TETRAHYDRONAPHTHALENE
Acentric_factor = 0.3284
Critical_Temperature = 720.15 K
Critical_Pressure = 35.727 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYLNAPHTHALENE
Acentric_factor = 0.3478
Critical_Temperature = 772.04 K
Critical_Pressure = 36.121 Bar
Critical_Volume = 0.465 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLNAPHTHALENE
Acentric_factor = 0.37160000000000004
Critical_Temperature = 761.0 K
Critical_Pressure = 34.542 Bar
Critical_Volume = 0.465 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIMETHYLNAPHTHALENE
Acentric_factor = 0.4177
Critical_Temperature = 777.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,7-DIMETHYLNAPHTHALENE
Acentric_factor = 0.41960000000000003
Critical_Temperature = 778.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-ETHYLNAPHTHALENE
Acentric_factor = 0.36260000000000003
Critical_Temperature = 776.0 K
Critical_Pressure = 29.608 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYLNAPHTHALENE
Acentric_factor = 0.4213
Critical_Temperature = 771.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-PROPYLNAPHTHALENE
Acentric_factor = 0.4554
Critical_Temperature = 782.0 K
Critical_Pressure = 29.312 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-BUTYLNAPHTHALENE
Acentric_factor = 0.49510000000000004
Critical_Temperature = 792.0 K
Critical_Pressure = 26.45 Bar
Critical_Volume = 0.631 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PHENYLNAPHTHALENE
Acentric_factor = 0.5309
Critical_Temperature = 849.0 K
Critical_Pressure = 25.956 Bar
Critical_Volume = 0.656 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-HEXYLNAPHTHALENE
Acentric_factor = 0.5874
Critical_Temperature = 813.0 K
Critical_Pressure = 22.206 Bar
Critical_Volume = 0.741 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE
Acentric_factor = 0.5888
Critical_Temperature = 779.0 K
Critical_Pressure = 18.653 Bar
Critical_Volume = 0.771 cm3/mol
Compressibility_factor_Z = 0.225
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-NONYLNAPHTHALENE
Acentric_factor = 0.6168
Critical_Temperature = 849.0 K
Critical_Pressure = 16.58 Bar
Critical_Volume = 1.0 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-n-DECYLNAPHTHALENE
Acentric_factor = 0.6415000000000001
Critical_Temperature = 859.0 K
Critical_Pressure = 15.593 Bar
Critical_Volume = 1.07 cm3/mol
Compressibility_factor_Z = 0.23700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACENAPHTHALENE
Acentric_factor = 0.3987
Critical_Temperature = 792.0 K
Critical_Pressure = 31.582 Bar
Critical_Volume = 0.544 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACENAPHTHENE
Acentric_factor = 0.3811
Critical_Temperature = 803.15 K
Critical_Pressure = 30.595 Bar
Critical_Volume = 0.553 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FLUORENE
Acentric_factor = 0.3493
Critical_Temperature = 870.0 K
Critical_Pressure = 46.385 Bar
Critical_Volume = 0.4 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ANTHRACENE
Acentric_factor = 0.4857
Critical_Temperature = 873.0 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.554 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENANTHRENE
Acentric_factor = 0.4949
Critical_Temperature = 869.25 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.554 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FLUORANTHENE
Acentric_factor = 0.5875
Critical_Temperature = 905.0 K
Critical_Pressure = 25.759 Bar
Critical_Volume = 0.655 cm3/mol
Compressibility_factor_Z = 0.227
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYRENE
Acentric_factor = 0.5074000000000001
Critical_Temperature = 936.0 K
Critical_Pressure = 25.759 Bar
Critical_Volume = 0.66 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHRYSENE
Acentric_factor = 0.603
Critical_Temperature = 979.0 K
Critical_Pressure = 23.587 Bar
Critical_Volume = 0.749 cm3/mol
Compressibility_factor_Z = 0.22
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BIPHENYL
Acentric_factor = 0.3654
Critical_Temperature = 789.26 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.502 cm3/mol
Compressibility_factor_Z = 0.295
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPHENYLMETHANE
Acentric_factor = 0.4615
Critical_Temperature = 768.0 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.547 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPHENYLACETYLENE
Acentric_factor = 0.3836
Critical_Temperature = 832.0 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.611 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-STILBENE
Acentric_factor = 0.4758
Critical_Temperature = 784.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.596 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-STILBENE
Acentric_factor = 0.4874
Critical_Temperature = 820.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.607 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIPHENYLETHANE
Acentric_factor = 0.4566
Critical_Temperature = 775.0 K
Critical_Pressure = 26.45 Bar
Critical_Volume = 0.604 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIPHENYLETHANE
Acentric_factor = 0.48850000000000005
Critical_Temperature = 780.0 K
Critical_Pressure = 26.153 Bar
Critical_Volume = 0.616 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-TERPHENYL
Acentric_factor = 0.5588000000000001
Critical_Temperature = 924.85 K
Critical_Pressure = 34.641 Bar
Critical_Volume = 0.768 cm3/mol
Compressibility_factor_Z = 0.35100000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-TERPHENYL
Acentric_factor = 0.4817
Critical_Temperature = 890.95 K
Critical_Pressure = 38.49 Bar
Critical_Volume = 0.753 cm3/mol
Compressibility_factor_Z = 0.396
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-TERPHENYL
Acentric_factor = 0.524
Critical_Temperature = 925.95 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.763 cm3/mol
Compressibility_factor_Z = 0.329
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DIPHENYL-4-METHYLPENTENE-1
Acentric_factor = 0.5467000000000001
Critical_Temperature = 835.0 K
Critical_Pressure = 19.738 Bar
Critical_Volume = 0.839 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DIMETHYL-2,3-DIPHENYLBUTANE
Acentric_factor = 0.5208
Critical_Temperature = 805.0 K
Critical_Pressure = 19.64 Bar
Critical_Volume = 0.781 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIPHENYLMETHANE
Acentric_factor = 0.5735
Critical_Temperature = 865.0 K
Critical_Pressure = 21.712 Bar
Critical_Volume = 0.753 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIPHENYLETHYLENE
Acentric_factor = 0.5998
Critical_Temperature = 908.0 K
Critical_Pressure = 20.725 Bar
Critical_Volume = 0.86 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2-TRIPHENYLETHANE
Acentric_factor = 0.6116
Critical_Temperature = 840.0 K
Critical_Pressure = 20.133 Bar
Critical_Volume = 0.808 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAPHENYLMETHANE
Acentric_factor = 0.6794
Critical_Temperature = 983.0 K
Critical_Pressure = 17.666 Bar
Critical_Volume = 0.966 cm3/mol
Compressibility_factor_Z = 0.212
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAPHENYLETHYLENE
Acentric_factor = 0.7285
Critical_Temperature = 996.0 K
Critical_Pressure = 16.876 Bar
Critical_Volume = 1.02 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2,2-TETRAPHENYLETHANE
Acentric_factor = 0.7322000000000001
Critical_Temperature = 827.0 K
Critical_Pressure = 16.482 Bar
Critical_Volume = 1.022 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = d-LIMONENE
Acentric_factor = 0.3123
Critical_Temperature = 660.0 K
Critical_Pressure = 27.14 Bar
Critical_Volume = 0.524 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = alpha-PHELLANDRENE
Acentric_factor = 0.3805
Critical_Temperature = 649.0 K
Critical_Pressure = 27.831 Bar
Critical_Volume = 0.5 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = beta-PHELLANDRENE
Acentric_factor = 0.37420000000000003
Critical_Temperature = 648.0 K
Critical_Pressure = 27.831 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = alpha-TERPINENE
Acentric_factor = 0.3755
Critical_Temperature = 652.0 K
Critical_Pressure = 27.634 Bar
Critical_Volume = 0.506 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = gamma-TERPINENE
Acentric_factor = 0.375
Critical_Temperature = 661.0 K
Critical_Pressure = 27.634 Bar
Critical_Volume = 0.505 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TERPINOLENE
Acentric_factor = 0.30060000000000003
Critical_Temperature = 672.0 K
Critical_Pressure = 27.338 Bar
Critical_Volume = 0.509 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-NORBORNENE
Acentric_factor = 0.159
Critical_Temperature = 583.0 K
Critical_Pressure = 38.786 Bar
Critical_Volume = 0.337 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = INDENE
Acentric_factor = 0.33380000000000004
Critical_Temperature = 687.0 K
Critical_Pressure = 37.7 Bar
Critical_Volume = 0.368 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = INDANE
Acentric_factor = 0.30910000000000004
Critical_Temperature = 684.9 K
Critical_Pressure = 38.983 Bar
Critical_Volume = 0.381 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYLINDENE
Acentric_factor = 0.3357
Critical_Temperature = 703.0 K
Critical_Pressure = 34.148 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLINDENE
Acentric_factor = 0.3277
Critical_Temperature = 684.0 K
Critical_Pressure = 34.148 Bar
Critical_Volume = 0.429 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ADAMANTANE
Acentric_factor = 0.18150000000000002
Critical_Temperature = 742.0 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.485 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CAMPHENE
Acentric_factor = 0.2957
Critical_Temperature = 638.0 K
Critical_Pressure = 27.14 Bar
Critical_Volume = 0.499 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = alpha-PINENE
Acentric_factor = 0.2862
Critical_Temperature = 632.0 K
Critical_Pressure = 27.239 Bar
Critical_Volume = 0.504 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = beta-PINENE
Acentric_factor = 0.3252
Critical_Temperature = 643.0 K
Critical_Pressure = 27.239 Bar
Critical_Volume = 0.506 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3-TRIMETHYLINDENE
Acentric_factor = 0.44060000000000005
Critical_Temperature = 726.0 K
Critical_Pressure = 27.338 Bar
Critical_Volume = 0.529 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PHENYLINDENE
Acentric_factor = 0.46900000000000003
Critical_Temperature = 865.0 K
Critical_Pressure = 27.239 Bar
Critical_Volume = 0.627 cm3/mol
Compressibility_factor_Z = 0.241
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = AIR
Acentric_factor = 0.0
Critical_Temperature = 132.45 K
Critical_Pressure = 37.246 Bar
Critical_Volume = 0.0915 cm3/mol
Compressibility_factor_Z = 0.313
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ARSINE
Acentric_factor = 0.0058000000000000005
Critical_Temperature = 373.0 K
Critical_Pressure = 64.643 Bar
Critical_Volume = 0.0978 cm3/mol
Compressibility_factor_Z = 0.20700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBORANE
Acentric_factor = 0.1254
Critical_Temperature = 289.8 K
Critical_Pressure = 40.0 Bar
Critical_Volume = 0.1731 cm3/mol
Compressibility_factor_Z = 0.2912
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON MONOXIDE
Acentric_factor = 0.0482
Critical_Temperature = 132.92 K
Critical_Pressure = 34.532 Bar
Critical_Volume = 0.0944 cm3/mol
Compressibility_factor_Z = 0.299
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON DIOXIDE
Acentric_factor = 0.22360000000000002
Critical_Temperature = 304.21 K
Critical_Pressure = 72.865 Bar
Critical_Volume = 0.094 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PERCHLORYL FLUORIDE
Acentric_factor = 0.1726
Critical_Temperature = 368.4 K
Critical_Pressure = 52.998 Bar
Critical_Volume = 0.161 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROSYL CHLORIDE
Acentric_factor = 0.3074
Critical_Temperature = 440.65 K
Critical_Pressure = 90.0 Bar
Critical_Volume = 0.1393 cm3/mol
Compressibility_factor_Z = 0.34700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLORINE DIOXIDE
Acentric_factor = 0.3564
Critical_Temperature = 465.0 K
Critical_Pressure = 85.0 Bar
Critical_Volume = 0.0 cm3/mol
Compressibility_factor_Z = 0.0
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROGEN TRIFLUORIDE
Acentric_factor = 0.1255
Critical_Temperature = 233.85 K
Critical_Pressure = 44.707 Bar
Critical_Volume = 0.1187 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAFLUOROHYDRAZINE
Acentric_factor = 0.2233
Critical_Temperature = 309.35 K
Critical_Pressure = 36.615 Bar
Critical_Volume = 0.213 cm3/mol
Compressibility_factor_Z = 0.307
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROGEN SULFIDE
Acentric_factor = 0.054200000000000005
Critical_Temperature = 411.15 K
Critical_Pressure = 88.034 Bar
Critical_Volume = 0.12 cm3/mol
Compressibility_factor_Z = 0.313
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHOSPHINE
Acentric_factor = 0.0357
Critical_Temperature = 324.75 K
Critical_Pressure = 64.5 Bar
Critical_Volume = 0.11330000000000001 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDRAZINE
Acentric_factor = 0.3143
Critical_Temperature = 653.15 K
Critical_Pressure = 145.078 Bar
Critical_Volume = 0.158 cm3/mol
Compressibility_factor_Z = 0.428
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITRIC OXIDE
Acentric_factor = 0.5829
Critical_Temperature = 180.15 K
Critical_Pressure = 63.953 Bar
Critical_Volume = 0.058 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROUS OXIDE
Acentric_factor = 0.1409
Critical_Temperature = 309.57 K
Critical_Pressure = 71.503 Bar
Critical_Volume = 0.0974 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OZONE
Acentric_factor = 0.2119
Critical_Temperature = 261.0 K
Critical_Pressure = 54.972 Bar
Critical_Volume = 0.089 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SULFUR DIOXID
Acentric_factor = 0.424
Critical_Temperature = 490.85 K
Critical_Pressure = 81.026 Bar
Critical_Volume = 0.127 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FORMALDEHYDE
Acentric_factor = 0.2818
Critical_Temperature = 408.0 K
Critical_Pressure = 65.038 Bar
Critical_Volume = 0.115 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLYOXAL
Acentric_factor = 0.4133
Critical_Temperature = 495.0 K
Critical_Pressure = 58.031 Bar
Critical_Volume = 0.164 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETALDEHYDE
Acentric_factor = 0.2907
Critical_Temperature = 466.0 K
Critical_Pressure = 54.774 Bar
Critical_Volume = 0.154 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACROLEIN
Acentric_factor = 0.31980000000000003
Critical_Temperature = 506.0 K
Critical_Pressure = 49.346 Bar
Critical_Volume = 0.197 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PROPANAL
Acentric_factor = 0.2559
Critical_Temperature = 504.4 K
Critical_Pressure = 48.557 Bar
Critical_Volume = 0.20400000000000001 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-CROTONALDEHYDE
Acentric_factor = 0.3382
Critical_Temperature = 569.0 K
Critical_Pressure = 41.944 Bar
Critical_Volume = 0.25 cm3/mol
Compressibility_factor_Z = 0.225
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHACROLEIN
Acentric_factor = 0.2456
Critical_Temperature = 530.0 K
Critical_Pressure = 41.944 Bar
Critical_Volume = 0.255 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BUTANAL
Acentric_factor = 0.27740000000000004
Critical_Temperature = 537.2 K
Critical_Pressure = 42.635 Bar
Critical_Volume = 0.258 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLPROPANAL
Acentric_factor = 0.3622
Critical_Temperature = 507.0 K
Critical_Pressure = 40.464 Bar
Critical_Volume = 0.263 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTANAL
Acentric_factor = 0.3472
Critical_Temperature = 566.1 K
Critical_Pressure = 39.181 Bar
Critical_Volume = 0.313 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXANAL
Acentric_factor = 0.38720000000000004
Critical_Temperature = 591.0 K
Critical_Pressure = 34.148 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZALDEHYDE
Acentric_factor = 0.31270000000000003
Critical_Temperature = 695.0 K
Critical_Pressure = 45.892 Bar
Critical_Volume = 0.324 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTANAL
Acentric_factor = 0.4268
Critical_Temperature = 617.0 K
Critical_Pressure = 31.384 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLHEXANAL
Acentric_factor = 0.46090000000000003
Critical_Temperature = 592.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.439 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLHEXANAL
Acentric_factor = 0.457
Critical_Temperature = 595.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TEREPHTHALDEHYDE
Acentric_factor = 0.5832
Critical_Temperature = 739.0 K
Critical_Pressure = 36.22 Bar
Critical_Volume = 0.383 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-TOLUALDEHYDE
Acentric_factor = 0.44220000000000004
Critical_Temperature = 698.0 K
Critical_Pressure = 36.22 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYLHEXANAL
Acentric_factor = 0.5195000000000001
Critical_Temperature = 607.0 K
Critical_Pressure = 25.463 Bar
Critical_Volume = 0.491 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTANAL
Acentric_factor = 0.47290000000000004
Critical_Temperature = 638.1 K
Critical_Pressure = 29.213 Bar
Critical_Volume = 0.47400000000000003 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NONANAL
Acentric_factor = 0.5117
Critical_Temperature = 658.0 K
Critical_Pressure = 26.943 Bar
Critical_Volume = 0.527 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DECANAL
Acentric_factor = 0.582
Critical_Temperature = 674.2 K
Critical_Pressure = 25.66 Bar
Critical_Volume = 0.58 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-UNDECANAL
Acentric_factor = 0.6205
Critical_Temperature = 692.0 K
Critical_Pressure = 24.574 Bar
Critical_Volume = 0.632 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DODECANAL
Acentric_factor = 0.675
Critical_Temperature = 708.0 K
Critical_Pressure = 23.785 Bar
Critical_Volume = 0.685 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-TRIDECANAL
Acentric_factor = 0.7161000000000001
Critical_Temperature = 724.0 K
Critical_Pressure = 23.193 Bar
Critical_Volume = 0.738 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = KETENE
Acentric_factor = 0.1257
Critical_Temperature = 370.0 K
Critical_Pressure = 57.34 Bar
Critical_Volume = 0.14400000000000002 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETONE
Acentric_factor = 0.3065
Critical_Temperature = 508.2 K
Critical_Pressure = 46.395 Bar
Critical_Volume = 0.209 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIKETENE
Acentric_factor = 0.3821
Critical_Temperature = 616.0 K
Critical_Pressure = 58.821 Bar
Critical_Volume = 0.234 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ETHYL KETONE
Acentric_factor = 0.3234
Critical_Temperature = 535.5 K
Critical_Pressure = 40.957 Bar
Critical_Volume = 0.267 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOPENTANONE
Acentric_factor = 0.28250000000000003
Critical_Temperature = 634.56 K
Critical_Pressure = 52.603 Bar
Critical_Volume = 0.258 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ETHYL KETONE KETONE
Acentric_factor = 0.2862
Critical_Temperature = 566.0 K
Critical_Pressure = 38.391 Bar
Critical_Volume = 0.302 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETYLACETONE
Acentric_factor = 0.211
Critical_Temperature = 646.65 K
Critical_Pressure = 39.082 Bar
Critical_Volume = 0.323 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ISOPROPYL KETONE
Acentric_factor = 0.35
Critical_Temperature = 553.0 K
Critical_Pressure = 38.0 Bar
Critical_Volume = 0.31 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PENTANONE
Acentric_factor = 0.3433
Critical_Temperature = 561.08 K
Critical_Pressure = 36.457 Bar
Critical_Volume = 0.301 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-PENTANONE
Acentric_factor = 0.3448
Critical_Temperature = 560.95 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = QUINONE
Acentric_factor = 0.49450000000000005
Critical_Temperature = 683.0 K
Critical_Pressure = 58.821 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.305
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXANONE
Acentric_factor = 0.3064
Critical_Temperature = 653.0 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.311 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MESITYL OXIDE
Acentric_factor = 0.3254
Critical_Temperature = 600.0 K
Critical_Pressure = 33.654 Bar
Critical_Volume = 0.355 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,3-DIMETHYL-2-BUTANONE
Acentric_factor = 0.32980000000000004
Critical_Temperature = 564.0 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.368 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL ISOPROPYL KETONE
Acentric_factor = 0.3911
Critical_Temperature = 567.0 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-HEXANONE
Acentric_factor = 0.3967
Critical_Temperature = 587.05 K
Critical_Pressure = 32.8 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-HEXANONE
Acentric_factor = 0.3764
Critical_Temperature = 582.82 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.364 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ISOBUTYL KETONE
Acentric_factor = 0.38920000000000005
Critical_Temperature = 571.4 K
Critical_Pressure = 32.272 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-2-PENTANONE
Acentric_factor = 0.3854
Critical_Temperature = 573.0 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOPROPYL KETONE
Acentric_factor = 0.4053
Critical_Temperature = 576.0 K
Critical_Pressure = 29.805 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-HEPTANONE
Acentric_factor = 0.4127
Critical_Temperature = 611.55 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-HEPTANONE
Acentric_factor = 0.47490000000000004
Critical_Temperature = 600.0 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-HEPTANONE
Acentric_factor = 0.4661
Critical_Temperature = 595.0 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 5-METHYL-2-HEXANONE
Acentric_factor = 0.4344
Critical_Temperature = 601.0 K
Critical_Pressure = 29.312 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETOPHENONE
Acentric_factor = 0.3643
Critical_Temperature = 709.5 K
Critical_Pressure = 37.898 Bar
Critical_Volume = 0.386 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-OCTANONE
Acentric_factor = 0.5281
Critical_Temperature = 624.0 K
Critical_Pressure = 26.055 Bar
Critical_Volume = 0.46900000000000003 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPHORONE
Acentric_factor = 0.4002
Critical_Temperature = 715.0 K
Critical_Pressure = 32.865 Bar
Critical_Volume = 0.456 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOBUTYL KETONE
Acentric_factor = 0.5116
Critical_Temperature = 615.0 K
Critical_Pressure = 24.476 Bar
Critical_Volume = 0.522 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-NONANONE
Acentric_factor = 0.5733
Critical_Temperature = 643.0 K
Critical_Pressure = 23.785 Bar
Critical_Volume = 0.527 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 5-NONANONE
Acentric_factor = 0.5317000000000001
Critical_Temperature = 640.0 K
Critical_Pressure = 23.785 Bar
Critical_Volume = 0.527 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CAMPHOR
Acentric_factor = 0.319
Critical_Temperature = 709.0 K
Critical_Pressure = 29.509 Bar
Critical_Volume = 0.505 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-CYCLOHEXYL CYCLOHEXANONE
Acentric_factor = 0.5116
Critical_Temperature = 756.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.595 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOPHENONE
Acentric_factor = 0.545
Critical_Temperature = 816.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.542 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ANTHRAQUINONE
Acentric_factor = 0.6807000000000001
Critical_Temperature = 900.0 K
Critical_Pressure = 31.088 Bar
Critical_Volume = 0.58 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHANOL
Acentric_factor = 0.5640000000000001
Critical_Temperature = 512.64 K
Critical_Pressure = 79.911 Bar
Critical_Volume = 0.11800000000000001 cm3/mol
Compressibility_factor_Z = 0.224
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHANOL
Acentric_factor = 0.6452
Critical_Temperature = 513.92 K
Critical_Pressure = 60.676 Bar
Critical_Volume = 0.167 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PROPANOL
Acentric_factor = 0.6218
Critical_Temperature = 536.78 K
Critical_Pressure = 51.073 Bar
Critical_Volume = 0.219 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BUTANOL
Acentric_factor = 0.5935
Critical_Temperature = 563.05 K
Critical_Pressure = 43.652 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTANOL
Acentric_factor = 0.5938
Critical_Temperature = 586.15 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.326 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXANOL
Acentric_factor = 0.5791000000000001
Critical_Temperature = 611.35 K
Critical_Pressure = 34.641 Bar
Critical_Volume = 0.381 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTANOL
Acentric_factor = 0.5874
Critical_Temperature = 631.9 K
Critical_Pressure = 31.088 Bar
Critical_Volume = 0.435 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTANOL
Acentric_factor = 0.5941000000000001
Critical_Temperature = 652.5 K
Critical_Pressure = 28.226 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NONANOL
Acentric_factor = 0.6267
Critical_Temperature = 668.9 K
Critical_Pressure = 25.66 Bar
Critical_Volume = 0.551 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DECANOL
Acentric_factor = 0.6612
Critical_Temperature = 684.4 K
Critical_Pressure = 23.39 Bar
Critical_Volume = 0.6000000000000001 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-UNDECANOL
Acentric_factor = 0.61
Critical_Temperature = 703.0 K
Critical_Pressure = 21.189 Bar
Critical_Volume = 0.661 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-DODECANOL
Acentric_factor = 0.6664
Critical_Temperature = 719.4 K
Critical_Pressure = 19.679 Bar
Critical_Volume = 0.716 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-TRIDECANOL
Acentric_factor = 0.7124
Critical_Temperature = 734.0 K
Critical_Pressure = 19.097 Bar
Critical_Volume = 0.749 cm3/mol
Compressibility_factor_Z = 0.23700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-TETRADECANOL
Acentric_factor = 0.7432000000000001
Critical_Temperature = 747.0 K
Critical_Pressure = 17.863 Bar
Critical_Volume = 0.802 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PENTADECANOL
Acentric_factor = 0.7797000000000001
Critical_Temperature = 759.0 K
Critical_Pressure = 16.778 Bar
Critical_Volume = 0.854 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEXADECANOL
Acentric_factor = 0.8163
Critical_Temperature = 770.0 K
Critical_Pressure = 15.889 Bar
Critical_Volume = 0.907 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-HEPTADECANOL
Acentric_factor = 0.8492000000000001
Critical_Temperature = 780.0 K
Critical_Pressure = 14.804 Bar
Critical_Volume = 0.96 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-OCTADECANOL
Acentric_factor = 0.8886000000000001
Critical_Temperature = 790.0 K
Critical_Pressure = 14.212 Bar
Critical_Volume = 1.01 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NONADECANOL
Acentric_factor = 0.9082
Critical_Temperature = 799.0 K
Critical_Pressure = 13.62 Bar
Critical_Volume = 1.07 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-EICOSANOL
Acentric_factor = 0.9183
Critical_Temperature = 809.0 K
Critical_Pressure = 12.83 Bar
Critical_Volume = 1.12 cm3/mol
Compressibility_factor_Z = 0.216
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPARGYL ALCOHOL
Acentric_factor = 0.5546
Critical_Temperature = 580.0 K
Critical_Pressure = 64.446 Bar
Critical_Volume = 0.176 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ALLYL ALCOHOL
Acentric_factor = 0.5688
Critical_Temperature = 545.05 K
Critical_Pressure = 55.465 Bar
Critical_Volume = 0.20800000000000002 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPANOL
Acentric_factor = 0.6677000000000001
Critical_Temperature = 508.3 K
Critical_Pressure = 46.997 Bar
Critical_Volume = 0.22 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-BUTANOL
Acentric_factor = 0.5722
Critical_Temperature = 536.05 K
Critical_Pressure = 41.244 Bar
Critical_Volume = 0.269 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-PROPANOL
Acentric_factor = 0.5848
Critical_Temperature = 547.78 K
Critical_Pressure = 42.438 Bar
Critical_Volume = 0.273 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-2-PROPANOL
Acentric_factor = 0.6115
Critical_Temperature = 506.21 K
Critical_Pressure = 39.21 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2-DIMETHYL-1-PROPANOL
Acentric_factor = 0.6036
Critical_Temperature = 550.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-BUTANOL
Acentric_factor = 0.6784
Critical_Temperature = 565.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-2-BUTANOL
Acentric_factor = 0.47950000000000004
Critical_Temperature = 543.7 K
Critical_Pressure = 36.615 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-1-BUTANOL
Acentric_factor = 0.589
Critical_Temperature = 577.2 K
Critical_Pressure = 38.786 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYL-2-BUTANOL
Acentric_factor = 0.35100000000000003
Critical_Temperature = 574.0 K
Critical_Pressure = 39.082 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PENTANOL
Acentric_factor = 0.5625
Critical_Temperature = 560.4 K
Critical_Pressure = 36.615 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-PENTANOL
Acentric_factor = 0.6748000000000001
Critical_Temperature = 547.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.327 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-1-BUTANOL
Acentric_factor = 0.7136
Critical_Temperature = 580.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.38 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-HEXANOL
Acentric_factor = 0.5655
Critical_Temperature = 586.2 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.38 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-PENTANOL
Acentric_factor = 0.7262000000000001
Critical_Temperature = 582.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.38 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYL-2-PENTANOL
Acentric_factor = 0.5730000000000001
Critical_Temperature = 574.4 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.38 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-HEPTANOL
Acentric_factor = 0.7627
Critical_Temperature = 588.0 K
Critical_Pressure = 29.904 Bar
Critical_Volume = 0.432 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 5-METHYL-1-HEXANOL
Acentric_factor = 0.7807000000000001
Critical_Temperature = 605.0 K
Critical_Pressure = 29.904 Bar
Critical_Volume = 0.432 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL-1-HEXANOL
Acentric_factor = 0.549
Critical_Temperature = 640.25 K
Critical_Pressure = 26.943 Bar
Critical_Volume = 0.485 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-OCTANOL
Acentric_factor = 0.5056
Critical_Temperature = 637.15 K
Critical_Pressure = 26.943 Bar
Critical_Volume = 0.46900000000000003 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIMETHYL-4-HEPTANOL
Acentric_factor = 0.8022
Critical_Temperature = 603.0 K
Critical_Pressure = 25.167 Bar
Critical_Volume = 0.538 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-NONANOL
Acentric_factor = 0.8904000000000001
Critical_Temperature = 623.0 K
Critical_Pressure = 24.476 Bar
Critical_Volume = 0.538 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 8-METHYL-1-NONANOL
Acentric_factor = 0.913
Critical_Temperature = 644.0 K
Critical_Pressure = 22.502 Bar
Critical_Volume = 0.591 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXANOL
Acentric_factor = 0.37260000000000004
Critical_Temperature = 650.0 K
Critical_Pressure = 42.043 Bar
Critical_Volume = 0.322 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-METHYLCYCLOHEXANOL
Acentric_factor = 0.6089
Critical_Temperature = 613.0 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.374 cm3/mol
Compressibility_factor_Z = 0.294
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-METHYLCYCLOHEXANOL
Acentric_factor = 0.6787000000000001
Critical_Temperature = 614.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.307
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-METHYLCYCLOHEXANOL
Acentric_factor = 0.683
Critical_Temperature = 616.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.306
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-3-METHYLCYCLOHEXANOL
Acentric_factor = 0.7042
Critical_Temperature = 618.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.305
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-3-METHYLCYCLOHEXANOL
Acentric_factor = 0.6971
Critical_Temperature = 617.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.306
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-4-METHYLCYCLOHEXANOL
Acentric_factor = 0.6854
Critical_Temperature = 622.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.303
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-4-METHYLCYCLOHEXANOL
Acentric_factor = 0.6914
Critical_Temperature = 622.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.303
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = L-MENTHOL
Acentric_factor = 0.7796000000000001
Critical_Temperature = 658.0 K
Critical_Pressure = 26.746 Bar
Critical_Volume = 0.533 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENOL
Acentric_factor = 0.4435
Critical_Temperature = 694.25 K
Critical_Pressure = 60.498 Bar
Critical_Volume = 0.229 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYL ALCOHOL
Acentric_factor = 0.3675
Critical_Temperature = 720.15 K
Critical_Pressure = 44.905 Bar
Critical_Volume = 0.335 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-CRESOL
Acentric_factor = 0.448
Critical_Temperature = 705.85 K
Critical_Pressure = 45.004 Bar
Critical_Volume = 0.312 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-CRESOL
Acentric_factor = 0.4339
Critical_Temperature = 697.55 K
Critical_Pressure = 49.445 Bar
Critical_Volume = 0.28200000000000003 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CRESOL
Acentric_factor = 0.5072
Critical_Temperature = 704.65 K
Critical_Pressure = 50.827 Bar
Critical_Volume = 0.277 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-HYDROXYSTYRENE
Acentric_factor = 0.509
Critical_Temperature = 736.0 K
Critical_Pressure = 44.609 Bar
Critical_Volume = 0.374 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-ETHYLPHENOL
Acentric_factor = 0.524
Critical_Temperature = 716.45 K
Critical_Pressure = 42.339 Bar
Critical_Volume = 0.387 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = alpha-METHYLBENZYL ALCOHOL
Acentric_factor = 0.706
Critical_Temperature = 668.0 K
Critical_Pressure = 39.378 Bar
Critical_Volume = 0.387 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PHENYLETHANOL
Acentric_factor = 0.7429
Critical_Temperature = 684.0 K
Critical_Pressure = 38.687 Bar
Critical_Volume = 0.387 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-XYLENOL
Acentric_factor = 0.511
Critical_Temperature = 722.95 K
Critical_Pressure = 48.359 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.293
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-XYLENOL
Acentric_factor = 0.5133
Critical_Temperature = 707.65 K
Critical_Pressure = 43.425 Bar
Critical_Volume = 0.39 cm3/mol
Compressibility_factor_Z = 0.292
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-XYLENOL
Acentric_factor = 0.5633
Critical_Temperature = 707.05 K
Critical_Pressure = 48.359 Bar
Critical_Volume = 0.35 cm3/mol
Compressibility_factor_Z = 0.292
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-XYLENOL
Acentric_factor = 0.45530000000000004
Critical_Temperature = 701.05 K
Critical_Pressure = 42.438 Bar
Critical_Volume = 0.39 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,4-XYLENOL
Acentric_factor = 0.5730000000000001
Critical_Temperature = 729.95 K
Critical_Pressure = 49.346 Bar
Critical_Volume = 0.35 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,5-XYLENOL
Acentric_factor = 0.49110000000000004
Critical_Temperature = 715.65 K
Critical_Pressure = 36.0 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.294
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PHENYL-1-PROPANOL
Acentric_factor = 0.7464000000000001
Critical_Temperature = 677.0 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-PHENYL-2-PROPANOL
Acentric_factor = 0.7496
Critical_Temperature = 678.0 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-PHENYL-2-PROPANOL
Acentric_factor = 0.6975
Critical_Temperature = 660.0 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.44 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-BUTYLPHENOL
Acentric_factor = 0.5099
Critical_Temperature = 734.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.493 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-AMYLPHENOL
Acentric_factor = 0.5691
Critical_Temperature = 751.0 K
Critical_Pressure = 29.41 Bar
Critical_Volume = 0.546 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-OCTYLPHENOL
Acentric_factor = 0.6313000000000001
Critical_Temperature = 765.0 K
Critical_Pressure = 22.502 Bar
Critical_Volume = 0.704 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CUMYLPHENOL
Acentric_factor = 0.6602
Critical_Temperature = 834.0 K
Critical_Pressure = 26.45 Bar
Critical_Volume = 0.659 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DI-tert-BUTYL-p-CRESOL
Acentric_factor = 0.6858000000000001
Critical_Temperature = 720.0 K
Critical_Pressure = 20.824 Bar
Critical_Volume = 0.757 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NONYLPHENOL
Acentric_factor = 0.8998
Critical_Temperature = 757.0 K
Critical_Pressure = 20.429 Bar
Critical_Volume = 0.757 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DINONYLPHENOL
Acentric_factor = 1.1355
Critical_Temperature = 886.0 K
Critical_Pressure = 12.238 Bar
Critical_Volume = 1.23 cm3/mol
Compressibility_factor_Z = 0.20700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENE GLYCOL
Acentric_factor = 0.4868
Critical_Temperature = 719.7 K
Critical_Pressure = 75.993 Bar
Critical_Volume = 0.191 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-PROPYLENE GLYCOL
Acentric_factor = 1.1065
Critical_Temperature = 626.0 K
Critical_Pressure = 60.202 Bar
Critical_Volume = 0.23900000000000002 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-PROPYLENE GLYCOL
Acentric_factor = 0.7399
Critical_Temperature = 724.0 K
Critical_Pressure = 93.758 Bar
Critical_Volume = 0.217 cm3/mol
Compressibility_factor_Z = 0.342
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLYCEROL
Acentric_factor = 1.0335
Critical_Temperature = 723.0 K
Critical_Pressure = 20.923000000000002 Bar
Critical_Volume = 0.264 cm3/mol
Compressibility_factor_Z = 0.0931
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-BUTYNE-1,4-DIOL
Acentric_factor = 1.1343
Critical_Temperature = 695.0 K
Critical_Pressure = 57.834 Bar
Critical_Volume = 0.256 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-2-BUTENE-1,4-DIOL
Acentric_factor = 1.1739
Critical_Temperature = 677.88 K
Critical_Pressure = 51.32 Bar
Critical_Volume = 0.279 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-2-BUTENE-1,4-DIOL
Acentric_factor = 1.1736
Critical_Temperature = 681.0 K
Critical_Pressure = 51.32 Bar
Critical_Volume = 0.279 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-BUTANEDIOL
Acentric_factor = 1.166
Critical_Temperature = 625.0 K
Critical_Pressure = 49.346 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-BUTANEDIOL
Acentric_factor = 1.1525
Critical_Temperature = 643.0 K
Critical_Pressure = 49.346 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-BUTANEDIOL
Acentric_factor = 1.177
Critical_Temperature = 667.0 K
Critical_Pressure = 48.162 Bar
Critical_Volume = 0.297 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-BUTANEDIOL
Acentric_factor = 1.1055
Critical_Temperature = 611.0 K
Critical_Pressure = 50.629 Bar
Critical_Volume = 0.267 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1,3-PROPANEDIOL
Acentric_factor = 0.7144
Critical_Temperature = 697.0 K
Critical_Pressure = 52.8 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLENE GLYCOL
Acentric_factor = 0.6211
Critical_Temperature = 744.6 K
Critical_Pressure = 45.398 Bar
Critical_Volume = 0.312 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NEOPENTYL GLYCOL
Acentric_factor = 1.1431
Critical_Temperature = 643.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.34500000000000003 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,5-PENTANEDIOL
Acentric_factor = 1.2216
Critical_Temperature = 673.0 K
Critical_Pressure = 40.957 Bar
Critical_Volume = 0.34500000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-PENTANEDIOL
Acentric_factor = 1.1223
Critical_Temperature = 629.0 K
Critical_Pressure = 42.734 Bar
Critical_Volume = 0.325 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PENTAERYTHRITOL
Acentric_factor = 2.1728
Critical_Temperature = 780.0 K
Critical_Pressure = 47.175 Bar
Critical_Volume = 0.381 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-BENZENEDIOL
Acentric_factor = 0.6937
Critical_Temperature = 764.0 K
Critical_Pressure = 73.921 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.354
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-BENZENEDIOL
Acentric_factor = 0.6767000000000001
Critical_Temperature = 810.0 K
Critical_Pressure = 73.921 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.334
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-HYDROQUINONE
Acentric_factor = 0.6861
Critical_Temperature = 822.0 K
Critical_Pressure = 73.526 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.327
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3-BENZENETRIOL
Acentric_factor = 0.9446
Critical_Temperature = 830.0 K
Critical_Pressure = 86.948 Bar
Critical_Volume = 0.318 cm3/mol
Compressibility_factor_Z = 0.406
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = INOSITOL
Acentric_factor = 2.371
Critical_Temperature = 850.0 K
Critical_Pressure = 52.504 Bar
Critical_Volume = 0.41200000000000003 cm3/mol
Compressibility_factor_Z = 0.31
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,6-HEXANEDIOL
Acentric_factor = 1.2619
Critical_Temperature = 670.0 K
Critical_Pressure = 35.628 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXYLENE GLYCOL
Acentric_factor = 1.158
Critical_Temperature = 621.0 K
Critical_Pressure = 39.576 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.309
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPROPYLENE GLYCOL
Acentric_factor = 1.1977
Critical_Temperature = 654.0 K
Critical_Pressure = 35.332 Bar
Critical_Volume = 0.41500000000000004 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMETHYLOLPROPANE
Acentric_factor = 1.5431
Critical_Temperature = 709.0 K
Critical_Pressure = 38.589 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIETHYLENE GLYCOL
Acentric_factor = 0.7587
Critical_Temperature = 769.5 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.443 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SORBITOL
Acentric_factor = 2.2131
Critical_Temperature = 868.0 K
Critical_Pressure = 45.793 Bar
Critical_Volume = 0.483 cm3/mol
Compressibility_factor_Z = 0.311
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAETHYLENE GLYCOL
Acentric_factor = 0.9174
Critical_Temperature = 795.0 K
Critical_Pressure = 25.561 Bar
Critical_Volume = 0.5640000000000001 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIPROPYLENE GLYCOL
Acentric_factor = 1.2567
Critical_Temperature = 677.0 K
Critical_Pressure = 25.068 Bar
Critical_Volume = 0.596 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-tert-BUTYLCATECHOL
Acentric_factor = 0.7399
Critical_Temperature = 776.0 K
Critical_Pressure = 37.207 Bar
Critical_Volume = 0.511 cm3/mol
Compressibility_factor_Z = 0.299
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BISPHENOL A
Acentric_factor = 0.9455
Critical_Temperature = 849.0 K
Critical_Pressure = 28.917 Bar
Critical_Volume = 0.677 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FORMIC ACID
Acentric_factor = 0.3173
Critical_Temperature = 588.0 K
Critical_Pressure = 57.34 Bar
Critical_Volume = 0.125 cm3/mol
Compressibility_factor_Z = 0.149
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETIC ACID
Acentric_factor = 0.4665
Critical_Temperature = 591.95 K
Critical_Pressure = 57.103 Bar
Critical_Volume = 0.1797 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPIONIC ACID
Acentric_factor = 0.5745
Critical_Temperature = 600.81 K
Critical_Pressure = 45.566 Bar
Critical_Volume = 0.233 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYRIC ACID
Acentric_factor = 0.6809000000000001
Critical_Temperature = 615.7 K
Critical_Pressure = 40.109 Bar
Critical_Volume = 0.2917 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTANOIC ACID
Acentric_factor = 0.6984
Critical_Temperature = 639.16 K
Critical_Pressure = 35.253 Bar
Critical_Volume = 0.3362 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXANOIC ACID
Acentric_factor = 0.738
Critical_Temperature = 659.1 K
Critical_Pressure = 32.647 Bar
Critical_Volume = 0.37720000000000004 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTANOIC ACID
Acentric_factor = 0.7581
Critical_Temperature = 676.84 K
Critical_Pressure = 30.032 Bar
Critical_Volume = 0.4297 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTANOIC ACID
Acentric_factor = 0.7706000000000001
Critical_Temperature = 694.26 K
Critical_Pressure = 27.427 Bar
Critical_Volume = 0.499 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONANOIC ACID
Acentric_factor = 0.7724000000000001
Critical_Temperature = 710.7 K
Critical_Pressure = 24.811 Bar
Critical_Volume = 0.56 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECANOIC ACID
Acentric_factor = 0.806
Critical_Temperature = 722.1 K
Critical_Pressure = 22.206 Bar
Critical_Volume = 0.608 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-UNDECANOIC ACID
Acentric_factor = 0.8427
Critical_Temperature = 732.0 K
Critical_Pressure = 20.528 Bar
Critical_Volume = 0.653 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DODECANOIC ACID
Acentric_factor = 0.9668
Critical_Temperature = 734.0 K
Critical_Pressure = 19.146 Bar
Critical_Volume = 0.705 cm3/mol
Compressibility_factor_Z = 0.224
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TRIDECANOIC ACID
Acentric_factor = 0.9039
Critical_Temperature = 754.0 K
Critical_Pressure = 17.863 Bar
Critical_Volume = 0.758 cm3/mol
Compressibility_factor_Z = 0.219
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TETRADECANOIC ACID
Acentric_factor = 0.9356000000000001
Critical_Temperature = 765.0 K
Critical_Pressure = 16.778 Bar
Critical_Volume = 0.811 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PENTADECANOIC ACID
Acentric_factor = 0.9586
Critical_Temperature = 775.0 K
Critical_Pressure = 15.791 Bar
Critical_Volume = 0.864 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXADECANOIC ACID
Acentric_factor = 0.9827
Critical_Temperature = 785.0 K
Critical_Pressure = 14.903 Bar
Critical_Volume = 0.917 cm3/mol
Compressibility_factor_Z = 0.212
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTADECANOIC ACID
Acentric_factor = 1.0279
Critical_Temperature = 793.0 K
Critical_Pressure = 14.113 Bar
Critical_Volume = 0.969 cm3/mol
Compressibility_factor_Z = 0.21
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = STEARIC ACID
Acentric_factor = 1.0801
Critical_Temperature = 799.0 K
Critical_Pressure = 13.422 Bar
Critical_Volume = 1.02 cm3/mol
Compressibility_factor_Z = 0.209
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NONADECANOIC ACID
Acentric_factor = 1.0628
Critical_Temperature = 812.0 K
Critical_Pressure = 12.83 Bar
Critical_Volume = 1.07 cm3/mol
Compressibility_factor_Z = 0.20600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-EICOSANIC ACID
Acentric_factor = 1.0867
Critical_Temperature = 821.0 K
Critical_Pressure = 12.238 Bar
Critical_Volume = 1.13 cm3/mol
Compressibility_factor_Z = 0.20500000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PERACETIC ACID
Acentric_factor = 0.7523000000000001
Critical_Temperature = 552.0 K
Critical_Pressure = 63.163 Bar
Critical_Volume = 0.198 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACRYLIC ACID
Acentric_factor = 0.5383
Critical_Temperature = 615.0 K
Critical_Pressure = 55.86 Bar
Critical_Volume = 0.20800000000000002 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-CROTONIC ACID
Acentric_factor = 0.5723
Critical_Temperature = 647.0 K
Critical_Pressure = 46.385 Bar
Critical_Volume = 0.27 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-CROTONIC ACID
Acentric_factor = 0.5708
Critical_Temperature = 666.0 K
Critical_Pressure = 46.385 Bar
Critical_Volume = 0.27 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHACRYLIC ACID
Acentric_factor = 0.33180000000000004
Critical_Temperature = 662.0 K
Critical_Pressure = 47.274 Bar
Critical_Volume = 0.28 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYRIC ACID
Acentric_factor = 0.614
Critical_Temperature = 605.0 K
Critical_Pressure = 36.516 Bar
Critical_Volume = 0.292 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CITRACONIC ACID
Acentric_factor = 0.9269000000000001
Critical_Temperature = 829.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.34 cm3/mol
Compressibility_factor_Z = 0.209
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ITACONIC ACID
Acentric_factor = 0.9247000000000001
Critical_Temperature = 821.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.34 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLBUTYRIC ACID
Acentric_factor = 0.5894
Critical_Temperature = 643.0 K
Critical_Pressure = 38.391 Bar
Critical_Volume = 0.34700000000000003 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOVALERIC ACID
Acentric_factor = 0.648
Critical_Temperature = 634.0 K
Critical_Pressure = 38.391 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NEOPENTANOIC ACID
Acentric_factor = 0.5128
Critical_Temperature = 632.0 K
Critical_Pressure = 38.391 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYL BUTYRIC ACID
Acentric_factor = 0.6326
Critical_Temperature = 655.0 K
Critical_Pressure = 33.654 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CINNAMIC ACID
Acentric_factor = 0.7121000000000001
Critical_Temperature = 797.0 K
Critical_Pressure = 34.937 Bar
Critical_Volume = 0.431 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LINOLENIC ACID
Acentric_factor = 1.187
Critical_Temperature = 780.0 K
Critical_Pressure = 14.212 Bar
Critical_Volume = 1.07 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LINOLEIC ACID
Acentric_factor = 1.1801
Critical_Temperature = 775.0 K
Critical_Pressure = 13.916 Bar
Critical_Volume = 0.99 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OLEIC ACID
Acentric_factor = 1.1822
Critical_Temperature = 781.0 K
Critical_Pressure = 13.718 Bar
Critical_Volume = 1.0 cm3/mol
Compressibility_factor_Z = 0.214
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ABIETIC ACID
Acentric_factor = 1.1288
Critical_Temperature = 832.0 K
Critical_Pressure = 16.58 Bar
Critical_Volume = 0.93 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OXALIC ACID
Acentric_factor = 0.9176000000000001
Critical_Temperature = 804.0 K
Critical_Pressure = 69.282 Bar
Critical_Volume = 0.20500000000000002 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MALONIC ACID
Acentric_factor = 0.9418000000000001
Critical_Temperature = 805.0 K
Critical_Pressure = 55.662 Bar
Critical_Volume = 0.258 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FUMARIC ACID
Acentric_factor = 0.9885
Critical_Temperature = 771.0 K
Critical_Pressure = 49.149 Bar
Critical_Volume = 0.297 cm3/mol
Compressibility_factor_Z = 0.231
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MALEIC ACID
Acentric_factor = 0.9976
Critical_Temperature = 773.0 K
Critical_Pressure = 49.247 Bar
Critical_Volume = 0.297 cm3/mol
Compressibility_factor_Z = 0.231
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SUCCINIC ACID
Acentric_factor = 0.9922000000000001
Critical_Temperature = 806.0 K
Critical_Pressure = 46.484 Bar
Critical_Volume = 0.317 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLUTARIC ACID
Acentric_factor = 0.9589000000000001
Critical_Temperature = 807.0 K
Critical_Pressure = 39.872 Bar
Critical_Volume = 0.363 cm3/mol
Compressibility_factor_Z = 0.219
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ADIPIC ACID
Acentric_factor = 1.0507
Critical_Temperature = 809.0 K
Critical_Pressure = 34.838 Bar
Critical_Volume = 0.4 cm3/mol
Compressibility_factor_Z = 0.21
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PIMELIC ACID
Acentric_factor = 1.1158
Critical_Temperature = 805.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.46900000000000003 cm3/mol
Compressibility_factor_Z = 0.22
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-CYCLOHEXANEDICARBOXYLIC ACID
Acentric_factor = 1.0362
Critical_Temperature = 889.0 K
Critical_Pressure = 33.753 Bar
Critical_Volume = 0.464 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SUBERIC ACID
Acentric_factor = 1.1471
Critical_Temperature = 809.0 K
Critical_Pressure = 27.831 Bar
Critical_Volume = 0.522 cm3/mol
Compressibility_factor_Z = 0.219
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = AZELAIC ACID
Acentric_factor = 1.172
Critical_Temperature = 811.0 K
Critical_Pressure = 25.265 Bar
Critical_Volume = 0.61 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SEBACIC ACID
Acentric_factor = 1.2053
Critical_Temperature = 815.0 K
Critical_Pressure = 23.193 Bar
Critical_Volume = 0.658 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOIC ACID
Acentric_factor = 0.6028
Critical_Temperature = 751.0 K
Critical_Pressure = 44.115 Bar
Critical_Volume = 0.34400000000000003 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPHTHALIC ACID
Acentric_factor = 1.0613
Critical_Temperature = 1007.0 K
Critical_Pressure = 38.983 Bar
Critical_Volume = 0.424 cm3/mol
Compressibility_factor_Z = 0.2
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHTHALIC ACID
Acentric_factor = 1.0585
Critical_Temperature = 800.0 K
Critical_Pressure = 38.983 Bar
Critical_Volume = 0.424 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TEREPHTHALIC ACID
Acentric_factor = 1.0591
Critical_Temperature = 1113.0 K
Critical_Pressure = 38.983 Bar
Critical_Volume = 0.424 cm3/mol
Compressibility_factor_Z = 0.181
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-TOLUIC ACID
Acentric_factor = 0.6572
Critical_Temperature = 751.0 K
Critical_Pressure = 38.095 Bar
Critical_Volume = 0.397 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-TOLUIC ACID
Acentric_factor = 0.661
Critical_Temperature = 773.0 K
Critical_Pressure = 38.095 Bar
Critical_Volume = 0.397 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYROMELLITIC ACID
Acentric_factor = 1.8301
Critical_Temperature = 893.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.584 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = IBUPROFEN
Acentric_factor = 0.8234
Critical_Temperature = 777.0 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.66 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MALEIC ANHYDRIDE
Acentric_factor = 0.5463
Critical_Temperature = 721.0 K
Critical_Pressure = 71.848 Bar
Critical_Volume = 0.219 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SUCCINIC ANHYDRIDE
Acentric_factor = 0.5322
Critical_Temperature = 811.0 K
Critical_Pressure = 66.42 Bar
Critical_Volume = 0.223 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETIC ANHYDRIDE
Acentric_factor = 0.4535
Critical_Temperature = 606.0 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.29 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLUTARIC ANHYDRIDE
Acentric_factor = 0.5372
Critical_Temperature = 838.0 K
Critical_Pressure = 57.242 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPIONIC ANHYDRIDE
Acentric_factor = 0.5599000000000001
Critical_Temperature = 623.0 K
Critical_Pressure = 32.272 Bar
Critical_Volume = 0.396 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHTHALIC ANHYDRIDE
Acentric_factor = 0.7025
Critical_Temperature = 791.0 K
Critical_Pressure = 46.583 Bar
Critical_Volume = 0.421 cm3/mol
Compressibility_factor_Z = 0.302
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BUTYRIC ANHYDRIDE
Acentric_factor = 0.6545000000000001
Critical_Temperature = 644.0 K
Critical_Pressure = 26.055 Bar
Critical_Volume = 0.501 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMELLITIC
Acentric_factor = 0.997
Critical_Temperature = 890.0 K
Critical_Pressure = 40.266 Bar
Critical_Volume = 0.462 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL FORMATE
Acentric_factor = 0.2556
Critical_Temperature = 487.2 K
Critical_Pressure = 59.215 Bar
Critical_Volume = 0.17200000000000001 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL FORMATE
Acentric_factor = 0.2849
Critical_Temperature = 498.0 K
Critical_Pressure = 49.544 Bar
Critical_Volume = 0.217 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL FORMATE
Acentric_factor = 0.2847
Critical_Temperature = 508.4 K
Critical_Pressure = 46.78 Bar
Critical_Volume = 0.229 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYL FORMATE
Acentric_factor = 0.3088
Critical_Temperature = 538.0 K
Critical_Pressure = 39.674 Bar
Critical_Volume = 0.28500000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYL FORMATE
Acentric_factor = 0.38780000000000003
Critical_Temperature = 559.0 K
Critical_Pressure = 34.641 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = sec-BUTYL FORMATE
Acentric_factor = 0.34890000000000004
Critical_Temperature = 546.0 K
Critical_Pressure = 35.332 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYL FORMATE
Acentric_factor = 0.2944
Critical_Temperature = 537.0 K
Critical_Pressure = 35.332 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYL FORMATE
Acentric_factor = 0.3896
Critical_Temperature = 551.35 K
Critical_Pressure = 38.3 Bar
Critical_Volume = 0.352 cm3/mol
Compressibility_factor_Z = 0.298
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTYL FORMATE
Acentric_factor = 0.5155000000000001
Critical_Temperature = 576.0 K
Critical_Pressure = 30.841 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYL FORMATE
Acentric_factor = 0.3679
Critical_Temperature = 645.0 K
Critical_Pressure = 34.74 Bar
Critical_Volume = 0.384 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXYL FORMATE
Acentric_factor = 0.483
Critical_Temperature = 607.0 K
Critical_Pressure = 27.634 Bar
Critical_Volume = 0.437 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTYL FORMATE
Acentric_factor = 0.5337000000000001
Critical_Temperature = 628.0 K
Critical_Pressure = 25.068 Bar
Critical_Volume = 0.489 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTYL FORMATE
Acentric_factor = 0.5871000000000001
Critical_Temperature = 645.0 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.547 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONYL FORMATE
Acentric_factor = 0.6504
Critical_Temperature = 656.0 K
Critical_Pressure = 21.12 Bar
Critical_Volume = 0.639 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYL FORMATE
Acentric_factor = 0.7118
Critical_Temperature = 672.0 K
Critical_Pressure = 19.64 Bar
Critical_Volume = 0.6970000000000001 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ACETATE
Acentric_factor = 0.33130000000000004
Critical_Temperature = 506.55 K
Critical_Pressure = 46.879 Bar
Critical_Volume = 0.228 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL ACETATE
Acentric_factor = 0.3513
Critical_Temperature = 519.13 K
Critical_Pressure = 39.062 Bar
Critical_Volume = 0.27 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL ACETATE
Acentric_factor = 0.3664
Critical_Temperature = 523.3 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.28600000000000003 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ALLYL ACETATE
Acentric_factor = 0.3879
Critical_Temperature = 559.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.323 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYL ACETATE
Acentric_factor = 0.3678
Critical_Temperature = 532.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.336 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYL ACETATE
Acentric_factor = 0.3889
Critical_Temperature = 549.73 K
Critical_Pressure = 33.161 Bar
Critical_Volume = 0.34500000000000003 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENE GLYCOL DIACETATE
Acentric_factor = 0.5595
Critical_Temperature = 653.0 K
Critical_Pressure = 30.496 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.23700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLIDENE DIACETATE
Acentric_factor = 0.5263
Critical_Temperature = 627.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYL ACETATE
Acentric_factor = 0.4101
Critical_Temperature = 579.15 K
Critical_Pressure = 30.693 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = sec-BUTYL ACETATE
Acentric_factor = 0.39540000000000003
Critical_Temperature = 561.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYL ACETATE
Acentric_factor = 0.3396
Critical_Temperature = 545.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYL ACETATE
Acentric_factor = 0.434
Critical_Temperature = 560.8 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.389 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPENTYL ACETATE
Acentric_factor = 0.41400000000000003
Critical_Temperature = 599.0 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.442 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTYL ACETATE
Acentric_factor = 0.48960000000000004
Critical_Temperature = 598.0 K
Critical_Pressure = 27.634 Bar
Critical_Volume = 0.442 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYL ACETATE
Acentric_factor = 0.4209
Critical_Temperature = 648.0 K
Critical_Pressure = 30.792 Bar
Critical_Volume = 0.436 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXYL ACETATE
Acentric_factor = 0.5396000000000001
Critical_Temperature = 618.0 K
Critical_Pressure = 25.068 Bar
Critical_Volume = 0.494 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLYCERYL TRIACETATE
Acentric_factor = 0.8389000000000001
Critical_Temperature = 704.0 K
Critical_Pressure = 22.798000000000002 Bar
Critical_Volume = 0.625 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTYL
Acentric_factor = 0.5953
Critical_Temperature = 637.0 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.547 cm3/mol
Compressibility_factor_Z = 0.241
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHYLHEXYL
Acentric_factor = 0.6305000000000001
Critical_Temperature = 639.0 K
Critical_Pressure = 21.416 Bar
Critical_Volume = 0.6000000000000001 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTYL
Acentric_factor = 0.6514
Critical_Temperature = 652.0 K
Critical_Pressure = 21.219 Bar
Critical_Volume = 0.6000000000000001 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONYL
Acentric_factor = 0.7159
Critical_Temperature = 661.0 K
Critical_Pressure = 19.64 Bar
Critical_Volume = 0.653 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYL
Acentric_factor = 0.7502000000000001
Critical_Temperature = 678.0 K
Critical_Pressure = 18.357 Bar
Critical_Volume = 0.705 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL PROPIONATE
Acentric_factor = 0.3466
Critical_Temperature = 530.6 K
Critical_Pressure = 39.516 Bar
Critical_Volume = 0.28200000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL PROPIONATE
Acentric_factor = 0.38020000000000004
Critical_Temperature = 546.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.323 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL PROPIONATE
Acentric_factor = 0.39440000000000003
Critical_Temperature = 546.0 K
Critical_Pressure = 33.18 Bar
Critical_Volume = 0.34500000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = beta-PROPIOLACTONE
Acentric_factor = 0.3577
Critical_Temperature = 686.0 K
Critical_Pressure = 68.196 Bar
Critical_Volume = 0.20600000000000002 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = gamma-BUTYROLACTONE
Acentric_factor = 0.369
Critical_Temperature = 739.0 K
Critical_Pressure = 58.623 Bar
Critical_Volume = 0.265 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = gamma-VALEROLACTONE
Acentric_factor = 0.403
Critical_Temperature = 727.0 K
Critical_Pressure = 47.767 Bar
Critical_Volume = 0.279 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = epsilon-CAPROLACTONE
Acentric_factor = 0.4403
Critical_Temperature = 771.0 K
Critical_Pressure = 45.695 Bar
Critical_Volume = 0.352 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI(2-ETHYLHEXYL)ADIPATE
Acentric_factor = 1.0598
Critical_Temperature = 845.0 K
Critical_Pressure = 11.054 Bar
Critical_Volume = 1.26 cm3/mol
Compressibility_factor_Z = 0.201
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOPROPYL ETHER
Acentric_factor = 0.3387
Critical_Temperature = 500.05 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.386 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-PROPYL ETHER
Acentric_factor = 0.3688
Critical_Temperature = 530.6 K
Critical_Pressure = 29.884 Bar
Critical_Volume = 0.382 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL-n-PENTYL ETHER
Acentric_factor = 0.3886
Critical_Temperature = 541.0 K
Critical_Pressure = 29.509 Bar
Critical_Volume = 0.382 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-BUTYL ETHER
Acentric_factor = 0.4665
Critical_Temperature = 581.0 K
Critical_Pressure = 24.278 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-sec-BUTYL ETHER
Acentric_factor = 0.4319
Critical_Temperature = 559.0 K
Critical_Pressure = 24.969 Bar
Critical_Volume = 0.494 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-tert-BUTYL ETHER
Acentric_factor = 0.34590000000000004
Critical_Temperature = 550.0 K
Critical_Pressure = 24.969 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOBUTYL ETHER
Acentric_factor = 0.4243
Critical_Temperature = 562.0 K
Critical_Pressure = 24.18 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL-n-HEXYL ETHER
Acentric_factor = 0.4944
Critical_Temperature = 583.0 K
Critical_Pressure = 24.278 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-PENTYL ETHER
Acentric_factor = 0.6012000000000001
Critical_Temperature = 622.0 K
Critical_Pressure = 20.627 Bar
Critical_Volume = 0.593 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-HEXYL ETHER
Acentric_factor = 0.7105
Critical_Temperature = 658.0 K
Critical_Pressure = 17.923000000000002 Bar
Critical_Volume = 0.6980000000000001 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-OCTYL ETHER
Acentric_factor = 0.9336000000000001
Critical_Temperature = 707.0 K
Critical_Pressure = 14.212 Bar
Critical_Volume = 0.91 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DINONYL ETHER
Acentric_factor = 1.0021
Critical_Temperature = 736.0 K
Critical_Pressure = 12.83 Bar
Critical_Volume = 1.02 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLAL
Acentric_factor = 0.2856
Critical_Temperature = 480.6 K
Critical_Pressure = 38.983 Bar
Critical_Volume = 0.213 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIMETHOXYETHANE
Acentric_factor = 0.3462
Critical_Temperature = 536.15 K
Critical_Pressure = 38.2 Bar
Critical_Volume = 0.2706 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLAL
Acentric_factor = 0.4297
Critical_Temperature = 524.0 K
Critical_Pressure = 32.371 Bar
Critical_Volume = 0.34900000000000003 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PARALDEHYDE
Acentric_factor = 0.4368
Critical_Temperature = 579.0 K
Critical_Pressure = 34.542 Bar
Critical_Volume = 0.365 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETAL
Acentric_factor = 0.44730000000000003
Critical_Temperature = 541.0 K
Critical_Pressure = 29.41 Bar
Critical_Volume = 0.402 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIETHOXYETHANE
Acentric_factor = 0.4818
Critical_Temperature = 561.0 K
Critical_Pressure = 28.917 Bar
Critical_Volume = 0.402 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLENE GLYCOL DIMETHYL ETHER
Acentric_factor = 0.5775
Critical_Temperature = 608.0 K
Critical_Pressure = 28.226 Bar
Critical_Volume = 0.422 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ANISOLE
Acentric_factor = 0.3502
Critical_Temperature = 645.6 K
Critical_Pressure = 41.944 Bar
Critical_Volume = 0.337 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENETOLE
Acentric_factor = 0.4179
Critical_Temperature = 647.15 K
Critical_Pressure = 33.753 Bar
Critical_Volume = 0.39 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLENE GLYCOL DIETHYL ETHER
Acentric_factor = 0.6807000000000001
Critical_Temperature = 624.0 K
Critical_Pressure = 23.39 Bar
Critical_Volume = 0.558 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIETHYLENE GLYCOL DIMETHYL ETHER
Acentric_factor = 0.7915000000000001
Critical_Temperature = 651.0 K
Critical_Pressure = 22.798000000000002 Bar
Critical_Volume = 0.548 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYL ETHYL ETHER
Acentric_factor = 0.43320000000000003
Critical_Temperature = 662.0 K
Critical_Pressure = 30.693 Bar
Critical_Volume = 0.442 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ANETHOLE
Acentric_factor = 0.48460000000000003
Critical_Temperature = 723.0 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAETHYLENE GLYCOL DIMETHYL ETHER
Acentric_factor = 0.9652000000000001
Critical_Temperature = 705.0 K
Critical_Pressure = 19.146 Bar
Critical_Volume = 0.674 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPHENYL ETHER
Acentric_factor = 0.4389
Critical_Temperature = 766.8 K
Critical_Pressure = 30.397 Bar
Critical_Volume = 0.503 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLENE GLYCOL DI-n-BUTYL ETHER
Acentric_factor = 0.8455
Critical_Temperature = 680.0 K
Critical_Pressure = 17.37 Bar
Critical_Volume = 0.803 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBENZYL ETHER
Acentric_factor = 0.5908
Critical_Temperature = 777.0 K
Critical_Pressure = 25.265 Bar
Critical_Volume = 0.634 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENE OXIDE
Acentric_factor = 0.19740000000000002
Critical_Temperature = 469.15 K
Critical_Pressure = 70.96 Bar
Critical_Volume = 0.1403 cm3/mol
Compressibility_factor_Z = 0.25880000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-PROPYLENE OXIDE
Acentric_factor = 0.26830000000000004
Critical_Temperature = 482.25 K
Critical_Pressure = 48.557 Bar
Critical_Volume = 0.186 cm3/mol
Compressibility_factor_Z = 0.228
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-PROPYLENE OXIDE
Acentric_factor = 0.2005
Critical_Temperature = 520.0 K
Critical_Pressure = 56.748 Bar
Critical_Volume = 0.188 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIOXANE
Acentric_factor = 0.3337
Critical_Temperature = 604.0 K
Critical_Pressure = 57.439 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FURAN
Acentric_factor = 0.2015
Critical_Temperature = 490.15 K
Critical_Pressure = 54.281 Bar
Critical_Volume = 0.218 cm3/mol
Compressibility_factor_Z = 0.294
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DIHYDROFURAN
Acentric_factor = 0.22920000000000001
Critical_Temperature = 542.0 K
Critical_Pressure = 54.281 Bar
Critical_Volume = 0.216 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-EPOXYBUTANE
Acentric_factor = 0.2348
Critical_Temperature = 526.0 K
Critical_Pressure = 43.326 Bar
Critical_Volume = 0.258 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-EPOXY-2-METHYLPROPANE
Acentric_factor = 0.1709
Critical_Temperature = 521.0 K
Critical_Pressure = 45.991 Bar
Critical_Volume = 0.339 cm3/mol
Compressibility_factor_Z = 0.365
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAHYDROFURAN
Acentric_factor = 0.22540000000000002
Critical_Temperature = 540.15 K
Critical_Pressure = 51.221 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-DIOXANE
Acentric_factor = 0.2891
Critical_Temperature = 590.0 K
Critical_Pressure = 50.827 Bar
Critical_Volume = 0.23900000000000002 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-DIOXANE
Acentric_factor = 0.2793
Critical_Temperature = 587.0 K
Critical_Pressure = 51.4 Bar
Critical_Volume = 0.23800000000000002 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLBENZOFURAN
Acentric_factor = 0.37420000000000003
Critical_Temperature = 698.0 K
Critical_Pressure = 35.924 Bar
Critical_Volume = 0.405 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBENZOFURAN
Acentric_factor = 0.2753
Critical_Temperature = 837.8 K
Critical_Pressure = 31.582 Bar
Critical_Volume = 0.533 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = t-BUTYL HYDROPEROXIDE
Acentric_factor = 0.6623
Critical_Temperature = 552.0 K
Critical_Pressure = 42.832 Bar
Critical_Volume = 0.29 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYL PEROXIDE
Acentric_factor = 0.7571
Critical_Temperature = 685.0 K
Critical_Pressure = 41.549 Bar
Critical_Volume = 0.356 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLBENZENE HYDROPEROXIDE
Acentric_factor = 0.8130000000000001
Critical_Temperature = 737.0 K
Critical_Pressure = 37.404 Bar
Critical_Volume = 0.41600000000000004 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-t-BUTYL PEROXIDE
Acentric_factor = 0.4031
Critical_Temperature = 547.0 K
Critical_Pressure = 24.476 Bar
Critical_Volume = 0.508 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CUMENE HYDROPEROXIDE
Acentric_factor = 0.995
Critical_Temperature = 605.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.419 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-MENTHANE HYDROPEROXIDE
Acentric_factor = 0.9007000000000001
Critical_Temperature = 711.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.553 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DIISOPROPYLBENZENE HYDROPEROXIDE
Acentric_factor = 0.9626
Critical_Temperature = 812.0 K
Critical_Pressure = 24.278 Bar
Critical_Volume = 0.6880000000000001 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-DIISOPROPYLBENZENE HYDROPEROXIDE
Acentric_factor = 0.9279000000000001
Critical_Temperature = 810.0 K
Critical_Pressure = 24.574 Bar
Critical_Volume = 0.669 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOYL PEROXIDE
Acentric_factor = 0.9136000000000001
Critical_Temperature = 884.0 K
Critical_Pressure = 25.364 Bar
Critical_Volume = 0.7010000000000001 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICUMYL PEROXIDE
Acentric_factor = 0.44970000000000004
Critical_Temperature = 884.0 K
Critical_Pressure = 21.515 Bar
Critical_Volume = 0.873 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON TETRACHLORIDE
Acentric_factor = 0.19260000000000002
Critical_Temperature = 556.35 K
Critical_Pressure = 45.004 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROFORM
Acentric_factor = 0.22190000000000001
Critical_Temperature = 536.4 K
Critical_Pressure = 54.004 Bar
Critical_Volume = 0.23900000000000002 cm3/mol
Compressibility_factor_Z = 0.293
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICHLOROMETHANE
Acentric_factor = 0.1986
Critical_Temperature = 510.0 K
Critical_Pressure = 60.005 Bar
Critical_Volume = 0.185 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL CHLORIDE
Acentric_factor = 0.1531
Critical_Temperature = 416.25 K
Critical_Pressure = 65.926 Bar
Critical_Volume = 0.14300000000000002 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRACHLOROETHYLENE
Acentric_factor = 0.21380000000000002
Critical_Temperature = 620.0 K
Critical_Pressure = 44.313 Bar
Critical_Volume = 0.248 cm3/mol
Compressibility_factor_Z = 0.216
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXACHLOROETHANE
Acentric_factor = 0.2386
Critical_Temperature = 695.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.41200000000000003 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRICHLOROETHYLENE
Acentric_factor = 0.21660000000000001
Critical_Temperature = 571.0 K
Critical_Pressure = 48.458 Bar
Critical_Volume = 0.256 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PENTACHLOROETHANE
Acentric_factor = 0.24550000000000002
Critical_Temperature = 665.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.369 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLOROETHYLENE
Acentric_factor = 0.2721
Critical_Temperature = 482.0 K
Critical_Pressure = 51.221 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.29
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-1,2-DICHLOROETHYLENE
Acentric_factor = 0.2637
Critical_Temperature = 527.0 K
Critical_Pressure = 51.221 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-1,2-DICHLOROETHYLENE
Acentric_factor = 0.22340000000000002
Critical_Temperature = 516.5 K
Critical_Pressure = 54.379 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.28700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1,2-TETRACHLOROETHANE
Acentric_factor = 0.2422
Critical_Temperature = 624.0 K
Critical_Pressure = 39.674 Bar
Critical_Volume = 0.325 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2,2-TETRACHLOROETHANE
Acentric_factor = 0.2467
Critical_Temperature = 645.0 K
Critical_Pressure = 40.365 Bar
Critical_Volume = 0.325 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL CHLORIDE
Acentric_factor = 0.10010000000000001
Critical_Temperature = 432.0 K
Critical_Pressure = 55.959 Bar
Critical_Volume = 0.179 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1-TRICHLOROETHANE
Acentric_factor = 0.21830000000000002
Critical_Temperature = 545.0 K
Critical_Pressure = 42.438 Bar
Critical_Volume = 0.281 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2-TRICHLOROETHANE
Acentric_factor = 0.2591
Critical_Temperature = 602.0 K
Critical_Pressure = 44.214 Bar
Critical_Volume = 0.281 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLOROETHANE
Acentric_factor = 0.23390000000000002
Critical_Temperature = 523.0 K
Critical_Pressure = 50.037 Bar
Critical_Volume = 0.24 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLOROETHANE
Acentric_factor = 0.2866
Critical_Temperature = 561.6 K
Critical_Pressure = 52.998 Bar
Critical_Volume = 0.22 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL CHLORIDE
Acentric_factor = 0.19060000000000002
Critical_Temperature = 460.35 K
Critical_Pressure = 52.011 Bar
Critical_Volume = 0.155 cm3/mol
Compressibility_factor_Z = 0.213
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPARGYL CHLORIDE
Acentric_factor = 0.1519
Critical_Temperature = 541.0 K
Critical_Pressure = 52.307 Bar
Critical_Volume = 0.211 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DICHLOROPROPENE
Acentric_factor = 0.2061
Critical_Temperature = 577.0 K
Critical_Pressure = 43.227 Bar
Critical_Volume = 0.277 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-CHLOROPROPENE
Acentric_factor = 0.1525
Critical_Temperature = 478.0 K
Critical_Pressure = 46.484 Bar
Critical_Volume = 0.234 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-CHLOROPROPENE
Acentric_factor = 0.14780000000000001
Critical_Temperature = 514.15 K
Critical_Pressure = 46.484 Bar
Critical_Volume = 0.234 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,3-TRICHLOROPROPANE
Acentric_factor = 0.3063
Critical_Temperature = 652.0 K
Critical_Pressure = 38.194 Bar
Critical_Volume = 0.334 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLOROPROPANE
Acentric_factor = 0.2529
Critical_Temperature = 560.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLOROPROPANE
Acentric_factor = 0.2564
Critical_Temperature = 572.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-DICHLOROPROPANE
Acentric_factor = 0.2924
Critical_Temperature = 603.0 K
Critical_Pressure = 40.957 Bar
Critical_Volume = 0.291 cm3/mol
Compressibility_factor_Z = 0.241
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYL CHLORIDE
Acentric_factor = 0.1986
Critical_Temperature = 489.0 K
Critical_Pressure = 44.806 Bar
Critical_Volume = 0.247 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYL CHLORIDE
Acentric_factor = 0.2277
Critical_Temperature = 503.15 K
Critical_Pressure = 45.201 Bar
Critical_Volume = 0.247 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXACHLORO-1,3-BUTADIENE
Acentric_factor = 0.16840000000000002
Critical_Temperature = 738.0 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.55 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROPRENE
Acentric_factor = 0.19740000000000002
Critical_Temperature = 525.0 K
Critical_Pressure = 42.043 Bar
Critical_Volume = 0.273 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-DICHLORO-trans-2-BUTENE
Acentric_factor = 0.24180000000000001
Critical_Temperature = 618.0 K
Critical_Pressure = 37.306 Bar
Critical_Volume = 0.325 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-DICHLORO-cis-2-BUTENE
Acentric_factor = 0.3306
Critical_Temperature = 640.0 K
Critical_Pressure = 37.306 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-DICHLORO-trans-2-BUTENE
Acentric_factor = 0.33330000000000004
Critical_Temperature = 646.0 K
Critical_Pressure = 37.306 Bar
Critical_Volume = 0.33 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,4-DICHLORO-1-BUTENE
Acentric_factor = 0.3002
Critical_Temperature = 589.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.33 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLOROBUTANE
Acentric_factor = 0.2988
Critical_Temperature = 600.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-DICHLOROBUTANE
Acentric_factor = 0.3221
Critical_Temperature = 641.0 K
Critical_Pressure = 35.628 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-DICHLOROBUTANE
Acentric_factor = 0.26530000000000004
Critical_Temperature = 599.0 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYL CHLORIDE
Acentric_factor = 0.274
Critical_Temperature = 537.0 K
Critical_Pressure = 37.7 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = sec-BUTYL CHLORIDE
Acentric_factor = 0.2909
Critical_Temperature = 520.6 K
Critical_Pressure = 38.49 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYL CHLORIDE
Acentric_factor = 0.19440000000000002
Critical_Temperature = 507.0 K
Critical_Pressure = 38.49 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXACHLOROCYCLOPENTADIENE
Acentric_factor = 0.3694
Critical_Temperature = 746.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.526 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,5-DICHLOROPENTANE
Acentric_factor = 0.3851
Critical_Temperature = 663.0 K
Critical_Pressure = 31.483 Bar
Critical_Volume = 0.422 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-CHLOROPENTANE
Acentric_factor = 0.33390000000000003
Critical_Temperature = 568.0 K
Critical_Pressure = 33.062 Bar
Critical_Volume = 0.352 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXACHLOROBENZENE
Acentric_factor = 0.49710000000000004
Critical_Temperature = 825.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.526 cm3/mol
Compressibility_factor_Z = 0.219
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2,4-TRICHLOROBENZENE
Acentric_factor = 0.35810000000000003
Critical_Temperature = 725.0 K
Critical_Pressure = 36.714 Bar
Critical_Volume = 0.395 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3,5-TRICHLOROBENZENE
Acentric_factor = 0.35960000000000003
Critical_Temperature = 718.0 K
Critical_Pressure = 36.714 Bar
Critical_Volume = 0.425 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DICHLOROBENZENE
Acentric_factor = 0.279
Critical_Temperature = 683.95 K
Critical_Pressure = 40.168 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-DICHLOROBENZENE
Acentric_factor = 0.2192
Critical_Temperature = 705.0 K
Critical_Pressure = 40.168 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-DICHLOROBENZENE
Acentric_factor = 0.2846
Critical_Temperature = 684.75 K
Critical_Pressure = 40.168 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MONOCHLOROBENZENE
Acentric_factor = 0.2499
Critical_Temperature = 632.35 K
Critical_Pressure = 44.6 Bar
Critical_Volume = 0.308 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOTRICHLORIDE
Acentric_factor = 0.2599
Critical_Temperature = 737.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.447 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYL DICHLORIDE
Acentric_factor = 0.3264
Critical_Temperature = 731.0 K
Critical_Pressure = 36.023 Bar
Critical_Volume = 0.404 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DICHLOROTOLUENE
Acentric_factor = 0.359
Critical_Temperature = 705.0 K
Critical_Pressure = 35.431 Bar
Critical_Volume = 0.404 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYL CHLORIDE
Acentric_factor = 0.3136
Critical_Temperature = 686.0 K
Critical_Pressure = 38.589 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-CHLOROTOLUENE
Acentric_factor = 0.3044
Critical_Temperature = 656.0 K
Critical_Pressure = 38.589 Bar
Critical_Volume = 0.354 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CHLOROTOLUENE
Acentric_factor = 0.3123
Critical_Temperature = 660.0 K
Critical_Pressure = 38.589 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-CHLORONAPHTHALENE
Acentric_factor = 0.38270000000000004
Critical_Temperature = 785.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.434 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIBROMOMETHANE
Acentric_factor = 0.15610000000000002
Critical_Temperature = 696.0 K
Critical_Pressure = 60.104 Bar
Critical_Volume = 0.28600000000000003 cm3/mol
Compressibility_factor_Z = 0.301
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBROMOMETHANE
Acentric_factor = 0.2094
Critical_Temperature = 611.0 K
Critical_Pressure = 70.762 Bar
Critical_Volume = 0.223 cm3/mol
Compressibility_factor_Z = 0.315
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL BROMIDE
Acentric_factor = 0.1922
Critical_Temperature = 467.0 K
Critical_Pressure = 78.954 Bar
Critical_Volume = 0.156 cm3/mol
Compressibility_factor_Z = 0.321
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2,2-TETRABROMOETHANE
Acentric_factor = 0.1466
Critical_Temperature = 824.0 K
Critical_Pressure = 45.398 Bar
Critical_Volume = 0.401 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL BROMIDE
Acentric_factor = 0.2765
Critical_Temperature = 473.0 K
Critical_Pressure = 70.861 Bar
Critical_Volume = 0.2 cm3/mol
Compressibility_factor_Z = 0.365
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIBROMOETHANE
Acentric_factor = 0.125
Critical_Temperature = 628.0 K
Critical_Pressure = 59.511 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.319
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIBROMOETHANE
Acentric_factor = 0.20670000000000002
Critical_Temperature = 650.15 K
Critical_Pressure = 54.053 Bar
Critical_Volume = 0.2616 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOETHANE
Acentric_factor = 0.2548
Critical_Temperature = 503.8 K
Critical_Pressure = 61.485 Bar
Critical_Volume = 0.215 cm3/mol
Compressibility_factor_Z = 0.32
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BROMOPROPANE
Acentric_factor = 0.2848
Critical_Temperature = 544.0 K
Critical_Pressure = 53.195 Bar
Critical_Volume = 0.266 cm3/mol
Compressibility_factor_Z = 0.317
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-BROMOPROPANE
Acentric_factor = 0.2432
Critical_Temperature = 532.0 K
Critical_Pressure = 54.379 Bar
Critical_Volume = 0.266 cm3/mol
Compressibility_factor_Z = 0.331
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BROMOBUTANE
Acentric_factor = 0.3226
Critical_Temperature = 577.0 K
Critical_Pressure = 44.806 Bar
Critical_Volume = 0.319 cm3/mol
Compressibility_factor_Z = 0.302
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-BROMOBUTANE
Acentric_factor = 0.2684
Critical_Temperature = 567.0 K
Critical_Pressure = 45.695 Bar
Critical_Volume = 0.32 cm3/mol
Compressibility_factor_Z = 0.314
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DIBROMOBENZENE
Acentric_factor = 0.2932
Critical_Temperature = 761.0 K
Critical_Pressure = 45.991 Bar
Critical_Volume = 0.372 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOBENZENE
Acentric_factor = 0.2506
Critical_Temperature = 670.15 K
Critical_Pressure = 44.6 Bar
Critical_Volume = 0.324 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-BROMOTOLUENE
Acentric_factor = 0.3179
Critical_Temperature = 699.0 K
Critical_Pressure = 43.129 Bar
Critical_Volume = 0.379 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BROMOHEPTANE
Acentric_factor = 0.4435
Critical_Temperature = 651.0 K
Critical_Pressure = 30.397 Bar
Critical_Volume = 0.47700000000000004 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-BROMONAPHTHALENE
Acentric_factor = 0.36920000000000003
Critical_Temperature = 824.0 K
Critical_Pressure = 36.516 Bar
Critical_Volume = 0.453 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIIODOMETHANE
Acentric_factor = 0.1405
Critical_Temperature = 747.0 K
Critical_Pressure = 53.985 Bar
Critical_Volume = 0.272 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL IODIDE
Acentric_factor = 0.19720000000000001
Critical_Temperature = 528.0 K
Critical_Pressure = 72.736 Bar
Critical_Volume = 0.185 cm3/mol
Compressibility_factor_Z = 0.311
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL
Acentric_factor = 0.2144
Critical_Temperature = 561.0 K
Critical_Pressure = 59.117 Bar
Critical_Volume = 0.23800000000000002 cm3/mol
Compressibility_factor_Z = 0.306
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYL
Acentric_factor = 0.23800000000000002
Critical_Temperature = 578.0 K
Critical_Pressure = 50.53 Bar
Critical_Volume = 0.29 cm3/mol
Compressibility_factor_Z = 0.309
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYL
Acentric_factor = 0.25780000000000003
Critical_Temperature = 593.0 K
Critical_Pressure = 49.642 Bar
Critical_Volume = 0.29 cm3/mol
Compressibility_factor_Z = 0.296
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = IODOBENZENE
Acentric_factor = 0.2466
Critical_Temperature = 721.15 K
Critical_Pressure = 44.6 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON TETRAFLUORIDE
Acentric_factor = 0.1791
Critical_Temperature = 227.5 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.14 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIFLUOROMETHANE
Acentric_factor = 0.264
Critical_Temperature = 299.3 K
Critical_Pressure = 47.945 Bar
Critical_Volume = 0.133 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIFLUOROMETHANE
Acentric_factor = 0.2727
Critical_Temperature = 351.6 K
Critical_Pressure = 57.538 Bar
Critical_Volume = 0.121 cm3/mol
Compressibility_factor_Z = 0.241
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL FLUORIDE
Acentric_factor = 0.198
Critical_Temperature = 317.42 K
Critical_Pressure = 57.983 Bar
Critical_Volume = 0.113 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAFLUOROETHYLENE
Acentric_factor = 0.2265
Critical_Temperature = 306.45 K
Critical_Pressure = 38.924 Bar
Critical_Volume = 0.17200000000000001 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAFLUOROETHANE
Acentric_factor = 0.24910000000000002
Critical_Temperature = 292.8 K
Critical_Pressure = 29.41 Bar
Critical_Volume = 0.224 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PENTAFLUOROETHANE
Acentric_factor = 0.30260000000000004
Critical_Temperature = 339.19 K
Critical_Pressure = 35.48 Bar
Critical_Volume = 0.2101 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIFLUOROETHYLENE
Acentric_factor = 0.13620000000000002
Critical_Temperature = 302.8 K
Critical_Pressure = 44.017 Bar
Critical_Volume = 0.154 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1,2-TETRAFLUOROETHANE
Acentric_factor = 0.3267
Critical_Temperature = 374.3 K
Critical_Pressure = 40.109 Bar
Critical_Volume = 0.201 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2,2-TETRAFLUOROETHANE
Acentric_factor = 0.266
Critical_Temperature = 391.8 K
Critical_Pressure = 45.793 Bar
Critical_Volume = 0.191 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYL FLUORIDE
Acentric_factor = 0.1429
Critical_Temperature = 327.8 K
Critical_Pressure = 51.715 Bar
Critical_Volume = 0.14400000000000002 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1-TRIFLUOROETHANE
Acentric_factor = 0.2565
Critical_Temperature = 346.25 K
Critical_Pressure = 37.09 Bar
Critical_Volume = 0.194 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DIFLUOROETHANE
Acentric_factor = 0.2584
Critical_Temperature = 386.44 K
Critical_Pressure = 44.607 Bar
Critical_Volume = 0.179 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIFLUOROETHANE
Acentric_factor = 0.22240000000000001
Critical_Temperature = 445.0 K
Critical_Pressure = 42.832 Bar
Critical_Volume = 0.195 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL FLUORIDE
Acentric_factor = 0.22
Critical_Temperature = 375.31 K
Critical_Pressure = 49.622 Bar
Critical_Volume = 0.164 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAFLUOROPROPYLENE
Acentric_factor = 0.2046
Critical_Temperature = 368.0 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.268 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OCTAFLUOROPROPANE
Acentric_factor = 0.3267
Critical_Temperature = 345.05 K
Critical_Pressure = 26.45 Bar
Critical_Volume = 0.299 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OCTAFLUORO-2-BUTENE
Acentric_factor = 0.2922
Critical_Temperature = 392.0 K
Critical_Pressure = 22.995 Bar
Critical_Volume = 0.34700000000000003 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OCTAFLUOROCYCLOBUTANE
Acentric_factor = 0.3558
Critical_Temperature = 388.37 K
Critical_Pressure = 27.412 Bar
Critical_Volume = 0.32480000000000003 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DECAFLUOROBUTANE
Acentric_factor = 0.3715
Critical_Temperature = 386.35 K
Critical_Pressure = 22.926 Bar
Critical_Volume = 0.397 cm3/mol
Compressibility_factor_Z = 0.28700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAFLUOROBENZENE
Acentric_factor = 0.39530000000000004
Critical_Temperature = 516.73 K
Critical_Pressure = 32.3 Bar
Critical_Volume = 0.335 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FLUOROBENZENE
Acentric_factor = 0.2472
Critical_Temperature = 560.09 K
Critical_Pressure = 44.91 Bar
Critical_Volume = 0.269 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOTRIFLUORIDE
Acentric_factor = 0.2998
Critical_Temperature = 559.9 K
Critical_Pressure = 31.68 Bar
Critical_Volume = 0.356 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOCHLORODIFLUOROMETHANE
Acentric_factor = 0.187
Critical_Temperature = 426.15 K
Critical_Pressure = 41.98 Bar
Critical_Volume = 0.246 cm3/mol
Compressibility_factor_Z = 0.295
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOTRICHLOROMETHANE
Acentric_factor = 0.192
Critical_Temperature = 606.0 K
Critical_Pressure = 49.05 Bar
Critical_Volume = 0.28400000000000003 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOTRIFLUOROMETHANE
Acentric_factor = 0.1704
Critical_Temperature = 340.15 K
Critical_Pressure = 39.181 Bar
Critical_Volume = 0.2 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBROMODIFLUOROMETHANE
Acentric_factor = 0.1085
Critical_Temperature = 478.0 K
Critical_Pressure = 40.168 Bar
Critical_Volume = 0.249 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROTRIFLUOROMETHANE
Acentric_factor = 0.17170000000000002
Critical_Temperature = 302.0 K
Critical_Pressure = 38.194 Bar
Critical_Volume = 0.18030000000000002 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICHLORODIFLUOROMETHANE
Acentric_factor = 0.1797
Critical_Temperature = 384.95 K
Critical_Pressure = 40.711 Bar
Critical_Volume = 0.217 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRICHLOROFLUOROMETHANE
Acentric_factor = 0.1894
Critical_Temperature = 471.2 K
Critical_Pressure = 43.504 Bar
Critical_Volume = 0.248 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLORODIFLUOROMETHANE
Acentric_factor = 0.2192
Critical_Temperature = 369.3 K
Critical_Pressure = 49.06 Bar
Critical_Volume = 0.166 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICHLOROFLUOROMETHANE
Acentric_factor = 0.2048
Critical_Temperature = 451.58 K
Critical_Pressure = 51.162 Bar
Critical_Volume = 0.196 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOCHLOROMETHANE
Acentric_factor = 0.2204
Critical_Temperature = 557.0 K
Critical_Pressure = 67.209 Bar
Critical_Volume = 0.188 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMOTRIFLUOROETHYLENE
Acentric_factor = 0.1754
Critical_Temperature = 432.0 K
Critical_Pressure = 44.214 Bar
Critical_Volume = 0.23900000000000002 cm3/mol
Compressibility_factor_Z = 0.298
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DIBROMOTETRAFLUOROETHANE
Acentric_factor = 0.2504
Critical_Temperature = 487.8 K
Critical_Pressure = 33.486 Bar
Critical_Volume = 0.341 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROTRIFLUOROETHYLENE
Acentric_factor = 0.2641
Critical_Temperature = 379.15 K
Critical_Pressure = 40.0 Bar
Critical_Volume = 0.212 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROPENTAFLUOROETHANE
Acentric_factor = 0.2514
Critical_Temperature = 353.15 K
Critical_Pressure = 31.157 Bar
Critical_Volume = 0.252 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLOROTETRAFLUOROETHANE
Acentric_factor = 0.2533
Critical_Temperature = 418.55 K
Critical_Pressure = 32.568 Bar
Critical_Volume = 0.294 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLOROTETRAFLUOROETHANE
Acentric_factor = 0.252
Critical_Temperature = 418.85 K
Critical_Pressure = 32.174 Bar
Critical_Volume = 0.294 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2-TRICHLOROTRIFLUOROETHANE
Acentric_factor = 0.2515
Critical_Temperature = 487.25 K
Critical_Pressure = 33.654 Bar
Critical_Volume = 0.325 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1,2-TETRACHLORODIFLUOROETHANE
Acentric_factor = 0.2561
Critical_Temperature = 552.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,2,2-TETRACHLORODIFLUOROETHANE
Acentric_factor = 0.27840000000000004
Critical_Temperature = 551.0 K
Critical_Pressure = 32.963 Bar
Critical_Volume = 0.35100000000000003 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HALOTHANE
Acentric_factor = 0.09050000000000001
Critical_Temperature = 521.0 K
Critical_Pressure = 38.687 Bar
Critical_Volume = 0.296 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-CHLORO-1,1-DIFLUOROETHYLENE
Acentric_factor = 0.21910000000000002
Critical_Temperature = 400.55 K
Critical_Pressure = 44.0 Bar
Critical_Volume = 0.197 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-CHLORO-1,1,1,2-TETRAFLUOROETHANE
Acentric_factor = 0.2735
Critical_Temperature = 395.65 K
Critical_Pressure = 34.937 Bar
Critical_Volume = 0.246 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLORO-2,2,2-TRIFLUOROETHANE
Acentric_factor = 0.28250000000000003
Critical_Temperature = 456.86 K
Critical_Pressure = 36.176 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLORO-1,1,2-TRIFLUOROETHANE
Acentric_factor = 0.241
Critical_Temperature = 461.6 K
Critical_Pressure = 35.628 Bar
Critical_Volume = 0.278 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1,1-TRICHLOROFLUOROETHANE
Acentric_factor = 0.2501
Critical_Temperature = 565.0 K
Critical_Pressure = 39.378 Bar
Critical_Volume = 0.294 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-CHLORO-1,1-DIFLUOROETHANE
Acentric_factor = 0.2368
Critical_Temperature = 410.2 K
Critical_Pressure = 40.7 Bar
Critical_Volume = 0.231 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,1-DICHLORO-1-FLUOROETHANE
Acentric_factor = 0.2432
Critical_Temperature = 477.3 K
Critical_Pressure = 43.425 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DICHLOROBENZOTRIFLUORIDE
Acentric_factor = 0.4344
Critical_Temperature = 646.0 K
Critical_Pressure = 27.733 Bar
Critical_Volume = 0.443 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CHLOROBENZOTRIFLUORIDE
Acentric_factor = 0.37270000000000003
Critical_Temperature = 601.0 K
Critical_Pressure = 29.706 Bar
Critical_Volume = 0.399 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLAMINE
Acentric_factor = 0.28140000000000004
Critical_Temperature = 430.05 K
Critical_Pressure = 73.624 Bar
Critical_Volume = 0.154 cm3/mol
Compressibility_factor_Z = 0.321
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLAMINE
Acentric_factor = 0.2848
Critical_Temperature = 456.15 K
Critical_Pressure = 55.465 Bar
Critical_Volume = 0.20700000000000002 cm3/mol
Compressibility_factor_Z = 0.307
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYLAMINE
Acentric_factor = 0.2798
Critical_Temperature = 496.95 K
Critical_Pressure = 46.78 Bar
Critical_Volume = 0.26 cm3/mol
Compressibility_factor_Z = 0.298
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYLAMINE
Acentric_factor = 0.3292
Critical_Temperature = 531.9 K
Critical_Pressure = 41.451 Bar
Critical_Volume = 0.31 cm3/mol
Compressibility_factor_Z = 0.294
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTYLAMINE
Acentric_factor = 0.40700000000000003
Critical_Temperature = 555.0 K
Critical_Pressure = 35.332 Bar
Critical_Volume = 0.365 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXYLAMINE
Acentric_factor = 0.4577
Critical_Temperature = 584.0 K
Critical_Pressure = 31.384 Bar
Critical_Volume = 0.418 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTYLAMINE
Acentric_factor = 0.5077
Critical_Temperature = 607.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.47100000000000003 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTYLAMINE
Acentric_factor = 0.5694
Critical_Temperature = 627.0 K
Critical_Pressure = 25.463 Bar
Critical_Volume = 0.524 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONYLAMINE
Acentric_factor = 0.6171
Critical_Temperature = 648.0 K
Critical_Pressure = 23.291 Bar
Critical_Volume = 0.577 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYLAMINE
Acentric_factor = 0.6664
Critical_Temperature = 663.0 K
Critical_Pressure = 21.515 Bar
Critical_Volume = 0.629 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = UNDECYLAMINE
Acentric_factor = 0.7043
Critical_Temperature = 682.0 K
Critical_Pressure = 19.936 Bar
Critical_Volume = 0.682 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DODECYLAMINE
Acentric_factor = 0.7638
Critical_Temperature = 696.0 K
Critical_Pressure = 18.554 Bar
Critical_Volume = 0.735 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-TETRADECYLAMINE
Acentric_factor = 0.8609
Critical_Temperature = 722.0 K
Critical_Pressure = 16.383 Bar
Critical_Volume = 0.84 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYLAMINE
Acentric_factor = 0.2999
Critical_Temperature = 437.2 K
Critical_Pressure = 52.702 Bar
Critical_Volume = 0.18 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYLAMINE
Acentric_factor = 0.27590000000000003
Critical_Temperature = 471.85 K
Critical_Pressure = 44.806 Bar
Critical_Volume = 0.221 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMETHYLAMINE
Acentric_factor = 0.20620000000000002
Critical_Temperature = 433.25 K
Critical_Pressure = 40.168 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.28700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = sec-BUTYLAMINE
Acentric_factor = 0.28150000000000003
Critical_Temperature = 514.3 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.31 cm3/mol
Compressibility_factor_Z = 0.29
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYLAMINE
Acentric_factor = 0.2748
Critical_Temperature = 483.9 K
Critical_Pressure = 37.898 Bar
Critical_Volume = 0.293 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLAMINE
Acentric_factor = 0.3039
Critical_Temperature = 496.6 K
Critical_Pressure = 36.615 Bar
Critical_Volume = 0.301 cm3/mol
Compressibility_factor_Z = 0.27
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYLAMINE
Acentric_factor = 0.3627
Critical_Temperature = 513.73 K
Critical_Pressure = 41.599 Bar
Critical_Volume = 0.3126 cm3/mol
Compressibility_factor_Z = 0.3085
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOPROPYLAMINE
Acentric_factor = 0.38830000000000003
Critical_Temperature = 523.1 K
Critical_Pressure = 31.582 Bar
Critical_Volume = 0.418 cm3/mol
Compressibility_factor_Z = 0.308
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-PROPYLAMINE
Acentric_factor = 0.44970000000000004
Critical_Temperature = 550.0 K
Critical_Pressure = 30.989 Bar
Critical_Volume = 0.402 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIETHYLAMINE
Acentric_factor = 0.31620000000000004
Critical_Temperature = 535.15 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.39 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-BUTYLAMINE
Acentric_factor = 0.5296000000000001
Critical_Temperature = 602.3 K
Critical_Pressure = 25.364 Bar
Critical_Volume = 0.512 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIISOBUTYLAMINE
Acentric_factor = 0.4854
Critical_Temperature = 580.0 K
Critical_Pressure = 25.364 Bar
Critical_Volume = 0.524 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIPROPYLAMINE
Acentric_factor = 0.6994
Critical_Temperature = 577.5 K
Critical_Pressure = 22.008 Bar
Critical_Volume = 0.5760000000000001 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIAMYLAMINE
Acentric_factor = 0.6767000000000001
Critical_Temperature = 639.0 K
Critical_Pressure = 20.923000000000002 Bar
Critical_Volume = 0.629 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRI-n-BUTYLAMINE
Acentric_factor = 0.6943
Critical_Temperature = 644.0 K
Critical_Pressure = 17.765 Bar
Critical_Volume = 0.735 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIAMYLAMINE
Acentric_factor = 0.8526
Critical_Temperature = 660.0 K
Critical_Pressure = 14.804 Bar
Critical_Volume = 0.893 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MELAMINE
Acentric_factor = 0.6946
Critical_Temperature = 1017.0 K
Critical_Pressure = 57.834 Bar
Critical_Volume = 0.445 cm3/mol
Compressibility_factor_Z = 0.308
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYRIDINE
Acentric_factor = 0.2386
Critical_Temperature = 619.95 K
Critical_Pressure = 55.564 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.277
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ANILINE
Acentric_factor = 0.3775
Critical_Temperature = 699.0 K
Critical_Pressure = 52.406 Bar
Critical_Volume = 0.27 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLPYRIDINE
Acentric_factor = 0.27840000000000004
Critical_Temperature = 621.0 K
Critical_Pressure = 43.227 Bar
Critical_Volume = 0.32 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLPYRIDINE
Acentric_factor = 0.2706
Critical_Temperature = 645.0 K
Critical_Pressure = 43.227 Bar
Critical_Volume = 0.32 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-METHYLPYRIDINE
Acentric_factor = 0.30210000000000004
Critical_Temperature = 646.15 K
Critical_Pressure = 46.0 Bar
Critical_Volume = 0.3256 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-PHENYLENEDIAMINE
Acentric_factor = 0.5432
Critical_Temperature = 824.0 K
Critical_Pressure = 51.123 Bar
Critical_Volume = 0.377 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-PHENYLENEDIAMINE
Acentric_factor = 0.49350000000000005
Critical_Temperature = 781.0 K
Critical_Pressure = 51.123 Bar
Critical_Volume = 0.315 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-PHENYLENEDIAMINE
Acentric_factor = 0.539
Critical_Temperature = 796.0 K
Critical_Pressure = 51.123 Bar
Critical_Volume = 0.317 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENYLHYDRAZINE
Acentric_factor = 0.5351
Critical_Temperature = 761.0 K
Critical_Pressure = 48.458 Bar
Critical_Volume = 0.418 cm3/mol
Compressibility_factor_Z = 0.324
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYLAMINE
Acentric_factor = 0.4087
Critical_Temperature = 683.5 K
Critical_Pressure = 42.635 Bar
Critical_Volume = 0.373 cm3/mol
Compressibility_factor_Z = 0.28400000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIMETHYLPYRIDINE
Acentric_factor = 0.3502
Critical_Temperature = 623.75 K
Critical_Pressure = 37.306 Bar
Critical_Volume = 0.316 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLANILINE
Acentric_factor = 0.47990000000000005
Critical_Temperature = 701.55 K
Critical_Pressure = 51.3 Bar
Critical_Volume = 0.373 cm3/mol
Compressibility_factor_Z = 0.332
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-TOLUIDINE
Acentric_factor = 0.41300000000000003
Critical_Temperature = 709.15 K
Critical_Pressure = 41.0 Bar
Critical_Volume = 0.373 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-TOLUIDINE
Acentric_factor = 0.4424
Critical_Temperature = 694.15 K
Critical_Pressure = 37.0 Bar
Critical_Volume = 0.373 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-TOLUIDINE
Acentric_factor = 0.47600000000000003
Critical_Temperature = 693.15 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.373 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TOLUENEDIAMINE
Acentric_factor = 0.5794
Critical_Temperature = 804.0 K
Critical_Pressure = 43.227 Bar
Critical_Volume = 0.376 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N,N-DIMETHYLANILINE
Acentric_factor = 0.4032
Critical_Temperature = 687.15 K
Critical_Pressure = 35.8 Bar
Critical_Volume = 0.465 cm3/mol
Compressibility_factor_Z = 0.295
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-ETHYLANILINE
Acentric_factor = 0.41490000000000005
Critical_Temperature = 698.55 K
Critical_Pressure = 35.332 Bar
Critical_Volume = 0.426 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-ETHYLANILINE
Acentric_factor = 0.4631
Critical_Temperature = 704.0 K
Critical_Pressure = 36.911 Bar
Critical_Volume = 0.399 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4,6-TRIMETHYLPYRIDINE
Acentric_factor = 0.3759
Critical_Temperature = 653.0 K
Critical_Pressure = 32.865 Bar
Critical_Volume = 0.417 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOQUINOLINE
Acentric_factor = 0.28850000000000003
Critical_Temperature = 803.15 K
Critical_Pressure = 49.149 Bar
Critical_Volume = 0.403 cm3/mol
Compressibility_factor_Z = 0.301
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = QUINOLINE
Acentric_factor = 0.3287
Critical_Temperature = 782.15 K
Critical_Pressure = 45.991 Bar
Critical_Volume = 0.46900000000000003 cm3/mol
Compressibility_factor_Z = 0.336
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = QUINALDINE
Acentric_factor = 0.265
Critical_Temperature = 773.0 K
Critical_Pressure = 29.213 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.226
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N,N-DIETHYLANILINE
Acentric_factor = 0.4262
Critical_Temperature = 702.0 K
Critical_Pressure = 28.127 Bar
Critical_Volume = 0.556 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DIETHYLANILINE
Acentric_factor = 0.9538000000000001
Critical_Temperature = 678.0 K
Critical_Pressure = 30.792 Bar
Critical_Volume = 0.495 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBENZOPYRROLE
Acentric_factor = 0.4938
Critical_Temperature = 899.0 K
Critical_Pressure = 32.174 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.21
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-AMINODIPHENYL
Acentric_factor = 0.5454
Critical_Temperature = 817.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.539 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPHENYLAMINE
Acentric_factor = 0.5297000000000001
Critical_Temperature = 817.0 K
Critical_Pressure = 31.384 Bar
Critical_Volume = 0.539 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3-DIPHENYLTRIAZENE
Acentric_factor = 0.6227
Critical_Temperature = 845.0 K
Critical_Pressure = 27.89 Bar
Critical_Volume = 0.642 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-AMINODIPHENYLAMINE
Acentric_factor = 0.6940000000000001
Critical_Temperature = 867.0 K
Critical_Pressure = 31.483 Bar
Critical_Volume = 0.596 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZIDINE
Acentric_factor = 0.7357
Critical_Temperature = 929.0 K
Critical_Pressure = 32.568 Bar
Critical_Volume = 0.596 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDRAZOBENZENE
Acentric_factor = 0.68
Critical_Temperature = 792.0 K
Critical_Pressure = 30.496 Bar
Critical_Volume = 0.556 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACRIDINE
Acentric_factor = 0.4383
Critical_Temperature = 905.0 K
Critical_Pressure = 35.924 Bar
Critical_Volume = 0.543 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N,N'-DIPHENYL-p-PHENYLENEDIAMINE
Acentric_factor = 0.8761
Critical_Temperature = 906.0 K
Critical_Pressure = 22.798000000000002 Bar
Critical_Volume = 0.8170000000000001 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENEIMINE
Acentric_factor = 0.20070000000000002
Critical_Temperature = 537.0 K
Critical_Pressure = 67.604 Bar
Critical_Volume = 0.17300000000000001 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYLENEDIAMINE
Acentric_factor = 0.47240000000000004
Critical_Temperature = 593.0 K
Critical_Pressure = 62.077 Bar
Critical_Volume = 0.264 cm3/mol
Compressibility_factor_Z = 0.337
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ALLYLAMINE
Acentric_factor = 0.3265
Critical_Temperature = 505.0 K
Critical_Pressure = 51.024 Bar
Critical_Volume = 0.247 cm3/mol
Compressibility_factor_Z = 0.304
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPYLENEIMINE
Acentric_factor = 0.2566
Critical_Temperature = 529.0 K
Critical_Pressure = 53.491 Bar
Critical_Volume = 0.20800000000000002 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-PROPANEDIAMINE
Acentric_factor = 0.4738
Critical_Temperature = 587.0 K
Critical_Pressure = 52.011 Bar
Critical_Volume = 0.316 cm3/mol
Compressibility_factor_Z = 0.341
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYRROLE
Acentric_factor = 0.29760000000000003
Critical_Temperature = 639.75 K
Critical_Pressure = 64.446 Bar
Critical_Volume = 0.23 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYRROLIDINE
Acentric_factor = 0.26680000000000004
Critical_Temperature = 568.55 K
Critical_Pressure = 55.366 Bar
Critical_Volume = 0.249 cm3/mol
Compressibility_factor_Z = 0.296
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PIPERAZINE
Acentric_factor = 0.4138
Critical_Temperature = 638.0 K
Critical_Pressure = 54.577 Bar
Critical_Volume = 0.31 cm3/mol
Compressibility_factor_Z = 0.323
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYLENE TRIAMINE
Acentric_factor = 0.7002
Critical_Temperature = 676.0 K
Critical_Pressure = 41.648 Bar
Critical_Volume = 0.342 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLPYRROLE
Acentric_factor = 0.21280000000000002
Critical_Temperature = 610.0 K
Critical_Pressure = 47.076 Bar
Critical_Volume = 0.28300000000000003 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLPYRROLIDINE
Acentric_factor = 0.2258
Critical_Temperature = 550.0 K
Critical_Pressure = 41.451 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PIPERIDINE
Acentric_factor = 0.24280000000000002
Critical_Temperature = 594.05 K
Critical_Pressure = 45.9 Bar
Critical_Volume = 0.308 cm3/mol
Compressibility_factor_Z = 0.29
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIALLYLAMINE
Acentric_factor = 0.44830000000000003
Critical_Temperature = 556.0 K
Critical_Pressure = 32.766 Bar
Critical_Volume = 0.392 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIETHYLENEDIAMINE
Acentric_factor = 0.4602
Critical_Temperature = 655.0 K
Critical_Pressure = 38.589 Bar
Critical_Volume = 0.382 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLENETETRAMINE
Acentric_factor = 0.2993
Critical_Temperature = 729.0 K
Critical_Pressure = 36.319 Bar
Critical_Volume = 0.402 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYLAMINE
Acentric_factor = 0.3604
Critical_Temperature = 615.0 K
Critical_Pressure = 41.451 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.296
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLENEIMINE
Acentric_factor = 0.34540000000000004
Critical_Temperature = 624.0 K
Critical_Pressure = 42.142 Bar
Critical_Volume = 0.361 cm3/mol
Compressibility_factor_Z = 0.297
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-AMINOETHYL PIPERAZINE
Acentric_factor = 0.5572
Critical_Temperature = 708.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.40700000000000003 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLENEDIAMINE
Acentric_factor = 0.6351
Critical_Temperature = 660.0 K
Critical_Pressure = 32.47 Bar
Critical_Volume = 0.47500000000000003 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIETHYLENE TETRAMINE
Acentric_factor = 0.9735
Critical_Temperature = 718.0 K
Critical_Pressure = 31.285 Bar
Critical_Volume = 0.482 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLCYCLOHEXYLAMINE
Acentric_factor = 0.3855
Critical_Temperature = 622.0 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.393 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = INDOLE
Acentric_factor = 0.3763
Critical_Temperature = 790.0 K
Critical_Pressure = 42.438 Bar
Critical_Volume = 0.35 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAETHYLENEPENTAMINE
Acentric_factor = 1.2365
Critical_Temperature = 774.0 K
Critical_Pressure = 24.969 Bar
Critical_Volume = 0.636 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-AMINOAZOBENZENE
Acentric_factor = 0.6345000000000001
Critical_Temperature = 877.0 K
Critical_Pressure = 28.621 Bar
Critical_Volume = 0.642 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICYCLOHEXYLAMINE
Acentric_factor = 0.5133
Critical_Temperature = 737.0 K
Critical_Pressure = 24.87 Bar
Critical_Volume = 0.619 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DEHYDROABIETYLAMINE
Acentric_factor = 0.7415
Critical_Temperature = 863.0 K
Critical_Pressure = 16.778 Bar
Critical_Volume = 1.02 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYANOGEN CHLORIDE
Acentric_factor = 0.3221
Critical_Temperature = 449.0 K
Critical_Pressure = 59.117 Bar
Critical_Volume = 0.163 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROGEN CYANIDE
Acentric_factor = 0.40990000000000004
Critical_Temperature = 456.65 K
Critical_Pressure = 53.195 Bar
Critical_Volume = 0.139 cm3/mol
Compressibility_factor_Z = 0.197
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETONITRILE
Acentric_factor = 0.33790000000000003
Critical_Temperature = 545.5 K
Critical_Pressure = 47.668 Bar
Critical_Volume = 0.17300000000000001 cm3/mol
Compressibility_factor_Z = 0.184
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICYANDIAMIDE
Acentric_factor = 0.8016000000000001
Critical_Temperature = 848.0 K
Critical_Pressure = 52.702 Bar
Critical_Volume = 0.329 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYANOGEN
Acentric_factor = 0.2785
Critical_Temperature = 400.15 K
Critical_Pressure = 59.0 Bar
Critical_Volume = 0.195 cm3/mol
Compressibility_factor_Z = 0.35
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MALONONITRILE
Acentric_factor = 0.5091
Critical_Temperature = 715.0 K
Critical_Pressure = 39.872 Bar
Critical_Volume = 0.248 cm3/mol
Compressibility_factor_Z = 0.169
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACRYLONITRILE
Acentric_factor = 0.3498
Critical_Temperature = 535.0 K
Critical_Pressure = 44.214 Bar
Critical_Volume = 0.212 cm3/mol
Compressibility_factor_Z = 0.214
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PROPIONITRILE
Acentric_factor = 0.32430000000000003
Critical_Temperature = 564.4 K
Critical_Pressure = 41.253 Bar
Critical_Volume = 0.229 cm3/mol
Compressibility_factor_Z = 0.20400000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SUCCINONITRILE
Acentric_factor = 0.5582
Critical_Temperature = 770.0 K
Critical_Pressure = 34.937 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.166
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-CROTONITRILE
Acentric_factor = 0.37870000000000004
Critical_Temperature = 568.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.265 cm3/mol
Compressibility_factor_Z = 0.218
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-CROTONITRILE
Acentric_factor = 0.3977
Critical_Temperature = 586.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.28200000000000003 cm3/mol
Compressibility_factor_Z = 0.225
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHACRYLONITRILE
Acentric_factor = 0.3013
Critical_Temperature = 554.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.265 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VINYLACETONITRILE
Acentric_factor = 0.3785
Critical_Temperature = 584.0 K
Critical_Pressure = 38.293 Bar
Critical_Volume = 0.259 cm3/mol
Compressibility_factor_Z = 0.20700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2'-IMINOBIS-ACETONITRILE
Acentric_factor = 0.7192000000000001
Critical_Temperature = 731.0 K
Critical_Pressure = 34.937 Bar
Critical_Volume = 0.357 cm3/mol
Compressibility_factor_Z = 0.20800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYRONITRILE
Acentric_factor = 0.3714
Critical_Temperature = 582.25 K
Critical_Pressure = 37.4 Bar
Critical_Volume = 0.278 cm3/mol
Compressibility_factor_Z = 0.218
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYRONITRILE
Acentric_factor = 0.33840000000000003
Critical_Temperature = 565.0 K
Critical_Pressure = 37.108 Bar
Critical_Volume = 0.278 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLUTARONITRILE
Acentric_factor = 0.6032000000000001
Critical_Temperature = 782.0 K
Critical_Pressure = 31.088 Bar
Critical_Volume = 0.352 cm3/mol
Compressibility_factor_Z = 0.171
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VALERONITRILE
Acentric_factor = 0.4152
Critical_Temperature = 603.0 K
Critical_Pressure = 32.174 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = cis-DICYANO-1-BUTENE
Acentric_factor = 0.6719
Critical_Temperature = 691.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.392 cm3/mol
Compressibility_factor_Z = 0.201
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = trans-DICYANO-1-BUTENE
Acentric_factor = 0.6643
Critical_Temperature = 689.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.392 cm3/mol
Compressibility_factor_Z = 0.202
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,4-DICYANO-2-BUTENE
Acentric_factor = 0.6668000000000001
Critical_Temperature = 755.0 K
Critical_Pressure = 29.114 Bar
Critical_Volume = 0.426 cm3/mol
Compressibility_factor_Z = 0.2
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,2',2"-NITRILOTRIS-ACETONITRILE
Acentric_factor = 0.924
Critical_Temperature = 823.0 K
Critical_Pressure = 26.055 Bar
Critical_Volume = 0.485 cm3/mol
Compressibility_factor_Z = 0.187
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ADIPONITRILE
Acentric_factor = 0.6588
Critical_Temperature = 781.0 K
Critical_Pressure = 27.93 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.177
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLGLUTARONITRILE
Acentric_factor = 0.6381
Critical_Temperature = 742.0 K
Critical_Pressure = 28.423 Bar
Critical_Volume = 0.404 cm3/mol
Compressibility_factor_Z = 0.189
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXANENITRILE
Acentric_factor = 0.4743
Critical_Temperature = 622.05 K
Critical_Pressure = 28.818 Bar
Critical_Volume = 0.384 cm3/mol
Compressibility_factor_Z = 0.217
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZONITRILE
Acentric_factor = 0.3524
Critical_Temperature = 699.35 K
Critical_Pressure = 41.6 Bar
Critical_Volume = 0.339 cm3/mol
Compressibility_factor_Z = 0.246
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROMETHANE
Acentric_factor = 0.3477
Critical_Temperature = 588.15 K
Critical_Pressure = 62.3 Bar
Critical_Volume = 0.1734 cm3/mol
Compressibility_factor_Z = 0.224
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRANITROMETHANE
Acentric_factor = 0.5155000000000001
Critical_Temperature = 540.0 K
Critical_Pressure = 17.172 Bar
Critical_Volume = 0.468 cm3/mol
Compressibility_factor_Z = 0.181
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROETHANE
Acentric_factor = 0.36810000000000004
Critical_Temperature = 593.0 K
Critical_Pressure = 50.925 Bar
Critical_Volume = 0.23600000000000002 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-NITROPROPANE
Acentric_factor = 0.4122
Critical_Temperature = 605.0 K
Critical_Pressure = 42.931 Bar
Critical_Volume = 0.28800000000000003 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-NITROPROPANE
Acentric_factor = 0.37610000000000005
Critical_Temperature = 594.0 K
Critical_Pressure = 43.918 Bar
Critical_Volume = 0.28800000000000003 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,3,5-TRINITROBENZENE
Acentric_factor = 0.8082
Critical_Temperature = 1005.0 K
Critical_Pressure = 33.457 Bar
Critical_Volume = 0.52 cm3/mol
Compressibility_factor_Z = 0.211
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-DINITROBENZENE
Acentric_factor = 0.6817000000000001
Critical_Temperature = 805.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.434 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-DINITROBENZENE
Acentric_factor = 0.6874
Critical_Temperature = 831.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.434 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-DINITROBENZENE
Acentric_factor = 0.6861
Critical_Temperature = 803.0 K
Critical_Pressure = 37.997 Bar
Critical_Volume = 0.434 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROBENZENE
Acentric_factor = 0.44920000000000004
Critical_Temperature = 719.0 K
Critical_Pressure = 43.425 Bar
Critical_Volume = 0.34900000000000003 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4,6-TRINITROTOLUENE
Acentric_factor = 0.0
Critical_Temperature = 795.0 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.48 cm3/mol
Compressibility_factor_Z = 0.221
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRYL
Acentric_factor = 1.2738
Critical_Temperature = 673.0 K
Critical_Pressure = 25.759 Bar
Critical_Volume = 0.665 cm3/mol
Compressibility_factor_Z = 0.31
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,4-DINITROTOLUENE
Acentric_factor = 0.7181000000000001
Critical_Temperature = 814.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,5-DINITROTOLUENE
Acentric_factor = 0.7401
Critical_Temperature = 814.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.47200000000000003 cm3/mol
Compressibility_factor_Z = 0.23700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,6-DINITROTOLUENE
Acentric_factor = 0.7378
Critical_Temperature = 770.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.455 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,4-DINITROTOLUENE
Acentric_factor = 0.7371000000000001
Critical_Temperature = 842.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.487 cm3/mol
Compressibility_factor_Z = 0.23700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,5-DINITROTOLUENE
Acentric_factor = 0.7023
Critical_Temperature = 814.0 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.47300000000000003 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-NITROTOLUENE
Acentric_factor = 0.4903
Critical_Temperature = 734.0 K
Critical_Pressure = 37.503 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-NITROTOLUENE
Acentric_factor = 0.485
Critical_Temperature = 720.0 K
Critical_Pressure = 37.503 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.28
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-NITROTOLUENE
Acentric_factor = 0.5407000000000001
Critical_Temperature = 736.0 K
Critical_Pressure = 37.503 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ISOCYANATE
Acentric_factor = 0.17450000000000002
Critical_Temperature = 505.0 K
Critical_Pressure = 51.221 Bar
Critical_Volume = 0.19 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYL ISOCYANATE
Acentric_factor = 0.41450000000000004
Critical_Temperature = 568.0 K
Critical_Pressure = 33.95 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.262
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENYL ISOCYANATE
Acentric_factor = 0.4378
Critical_Temperature = 648.0 K
Critical_Pressure = 40.069 Bar
Critical_Volume = 0.341 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYL ISOCYANATE
Acentric_factor = 0.5216000000000001
Critical_Temperature = 633.0 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.372 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TOLUENE DIISOCYANATE
Acentric_factor = 0.6582
Critical_Temperature = 725.0 K
Critical_Pressure = 30.002 Bar
Critical_Volume = 0.525 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,5-NAPHTHALENE DIISOCYANATE
Acentric_factor = 0.0
Critical_Temperature = 770.0 K
Critical_Pressure = 26.844 Bar
Critical_Volume = 0.5710000000000001 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIPHENYLMETHANE-4,4'-DIISOCYANATE
Acentric_factor = 0.95
Critical_Temperature = 802.0 K
Critical_Pressure = 22.502 Bar
Critical_Volume = 0.712 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL MERCAPTAN
Acentric_factor = 0.1582
Critical_Temperature = 469.95 K
Critical_Pressure = 71.355 Bar
Critical_Volume = 0.145 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL MERCAPTAN
Acentric_factor = 0.18780000000000002
Critical_Temperature = 499.15 K
Critical_Pressure = 54.182 Bar
Critical_Volume = 0.20700000000000002 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-ETHANEDITHIOL
Acentric_factor = 0.257
Critical_Temperature = 663.0 K
Critical_Pressure = 52.899 Bar
Critical_Volume = 0.209 cm3/mol
Compressibility_factor_Z = 0.203
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOPROPYL MERCAPTAN
Acentric_factor = 0.21380000000000002
Critical_Temperature = 517.0 K
Critical_Pressure = 46.879 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PROPYL MERCAPTAN
Acentric_factor = 0.2318
Critical_Temperature = 536.6 K
Critical_Pressure = 45.695 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-BUTYL MERCAPTAN
Acentric_factor = 0.27140000000000003
Critical_Temperature = 570.1 K
Critical_Pressure = 39.181 Bar
Critical_Volume = 0.307 cm3/mol
Compressibility_factor_Z = 0.257
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = Sec-BUTYL MERCAPTAN
Acentric_factor = 0.2506
Critical_Temperature = 554.0 K
Critical_Pressure = 40.069 Bar
Critical_Volume = 0.307 cm3/mol
Compressibility_factor_Z = 0.271
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-BUTYL MERCAPTAN
Acentric_factor = 0.19140000000000001
Critical_Temperature = 530.0 K
Critical_Pressure = 40.069 Bar
Critical_Volume = 0.307 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ISOBUTYL MERCAPTAN
Acentric_factor = 0.2528
Critical_Temperature = 559.0 K
Critical_Pressure = 40.069 Bar
Critical_Volume = 0.307 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTYL MERCAPTAN
Acentric_factor = 0.32070000000000004
Critical_Temperature = 598.0 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.359 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENYL MERCAPTAN
Acentric_factor = 0.26280000000000003
Critical_Temperature = 689.0 K
Critical_Pressure = 46.78 Bar
Critical_Volume = 0.315 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CYCLOHEXYL MERCAPTAN
Acentric_factor = 0.2641
Critical_Temperature = 664.0 K
Critical_Pressure = 39.181 Bar
Critical_Volume = 0.355 cm3/mol
Compressibility_factor_Z = 0.255
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEXYL MERCAPTAN
Acentric_factor = 0.36810000000000004
Critical_Temperature = 623.0 K
Critical_Pressure = 30.397 Bar
Critical_Volume = 0.41200000000000003 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZYL MERCAPTAN
Acentric_factor = 0.2993
Critical_Temperature = 712.0 K
Critical_Pressure = 40.069 Bar
Critical_Volume = 0.367 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-HEPTYL MERCAPTAN
Acentric_factor = 0.42260000000000003
Critical_Temperature = 645.0 K
Critical_Pressure = 27.338 Bar
Critical_Volume = 0.465 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-OCTYL MERCAPTAN
Acentric_factor = 0.44970000000000004
Critical_Temperature = 667.3 K
Critical_Pressure = 24.87 Bar
Critical_Volume = 0.518 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-OCTYL MERCAPTAN
Acentric_factor = 0.30010000000000003
Critical_Temperature = 627.0 K
Critical_Pressure = 25.561 Bar
Critical_Volume = 0.529 cm3/mol
Compressibility_factor_Z = 0.263
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-NONYL MERCAPTAN
Acentric_factor = 0.5313
Critical_Temperature = 681.0 K
Critical_Pressure = 22.798000000000002 Bar
Critical_Volume = 0.5710000000000001 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DECYL MERCAPTAN
Acentric_factor = 0.5874
Critical_Temperature = 696.0 K
Critical_Pressure = 21.021 Bar
Critical_Volume = 0.624 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = UNDECYL MERCAPTAN
Acentric_factor = 0.6388
Critical_Temperature = 710.0 K
Critical_Pressure = 19.541 Bar
Critical_Volume = 0.676 cm3/mol
Compressibility_factor_Z = 0.227
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-DODECYL MERCAPTAN
Acentric_factor = 0.6663
Critical_Temperature = 724.0 K
Critical_Pressure = 18.159 Bar
Critical_Volume = 0.729 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = tert-DODECYL MERCAPTAN
Acentric_factor = 0.6098
Critical_Temperature = 691.0 K
Critical_Pressure = 18.357 Bar
Critical_Volume = 0.771 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON DISULFIDE
Acentric_factor = 0.1107
Critical_Temperature = 552.0 K
Critical_Pressure = 77.967 Bar
Critical_Volume = 0.16 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYL SULFIDE
Acentric_factor = 0.19340000000000002
Critical_Temperature = 503.04 K
Critical_Pressure = 54.577 Bar
Critical_Volume = 0.201 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYL DISULFIDE
Acentric_factor = 0.2652
Critical_Temperature = 606.0 K
Critical_Pressure = 52.899 Bar
Critical_Volume = 0.252 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL ETHYL SULFIDE
Acentric_factor = 0.2091
Critical_Temperature = 533.0 K
Critical_Pressure = 42.043 Bar
Critical_Volume = 0.254 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = THIOPHENE
Acentric_factor = 0.1928
Critical_Temperature = 579.35 K
Critical_Pressure = 56.156 Bar
Critical_Volume = 0.219 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAHYDROTHIOPHENE
Acentric_factor = 0.19790000000000002
Critical_Temperature = 631.95 K
Critical_Pressure = 50.925 Bar
Critical_Volume = 0.249 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYL SULFIDE
Acentric_factor = 0.2936
Critical_Temperature = 557.15 K
Critical_Pressure = 39.1 Bar
Critical_Volume = 0.318 cm3/mol
Compressibility_factor_Z = 0.272
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL-n-PROPYL SULFIDE
Acentric_factor = 0.2737
Critical_Temperature = 565.0 K
Critical_Pressure = 39.181 Bar
Critical_Volume = 0.307 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHYL DISULFIDE
Acentric_factor = 0.34640000000000004
Critical_Temperature = 642.0 K
Critical_Pressure = 38.194 Bar
Critical_Volume = 0.358 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYLTHIOPHENE
Acentric_factor = 0.2389
Critical_Temperature = 609.0 K
Critical_Pressure = 48.458 Bar
Critical_Volume = 0.275 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLTHIOPHENE
Acentric_factor = 0.23970000000000002
Critical_Temperature = 613.0 K
Critical_Pressure = 48.458 Bar
Critical_Volume = 0.276 cm3/mol
Compressibility_factor_Z = 0.266
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL-n-BUTYL SULFIDE
Acentric_factor = 0.3229
Critical_Temperature = 593.0 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL-t-BUTYL SULFIDE
Acentric_factor = 0.23340000000000002
Critical_Temperature = 570.0 K
Critical_Pressure = 34.937 Bar
Critical_Volume = 0.36 cm3/mol
Compressibility_factor_Z = 0.269
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-PROPYL SULFIDE
Acentric_factor = 0.374
Critical_Temperature = 608.0 K
Critical_Pressure = 30.397 Bar
Critical_Volume = 0.41200000000000003 cm3/mol
Compressibility_factor_Z = 0.251
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL-t-BUTYL SULFIDE
Acentric_factor = 0.2861
Critical_Temperature = 588.0 K
Critical_Pressure = 30.891 Bar
Critical_Volume = 0.41200000000000003 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYL-t-PENTYL SULFIDE
Acentric_factor = 0.2837
Critical_Temperature = 632.0 K
Critical_Pressure = 30.891 Bar
Critical_Volume = 0.435 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DI-n-PROPYL DISULFIDE
Acentric_factor = 0.4375
Critical_Temperature = 675.0 K
Critical_Pressure = 29.904 Bar
Critical_Volume = 0.463 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BENZOTHIOPHENE
Acentric_factor = 0.29550000000000004
Critical_Temperature = 754.0 K
Critical_Pressure = 40.859 Bar
Critical_Volume = 0.34900000000000003 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIBENZOTHIOPHENE
Acentric_factor = 0.39830000000000004
Critical_Temperature = 897.0 K
Critical_Pressure = 38.095 Bar
Critical_Volume = 0.512 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GLYCOLIC ACID
Acentric_factor = 1.0592
Critical_Temperature = 616.0 K
Critical_Pressure = 72.144 Bar
Critical_Volume = 0.177 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PYRUVIC ACID
Acentric_factor = 0.6709
Critical_Temperature = 634.52 K
Critical_Pressure = 55.761 Bar
Critical_Volume = 0.23900000000000002 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LACTIC ACID
Acentric_factor = 1.0221
Critical_Temperature = 675.0 K
Critical_Pressure = 58.821 Bar
Critical_Volume = 0.251 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHOXYACETIC ACID
Acentric_factor = 0.6248
Critical_Temperature = 691.0 K
Critical_Pressure = 49.149 Bar
Critical_Volume = 0.251 cm3/mol
Compressibility_factor_Z = 0.218
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIGLYCOLIC ACID
Acentric_factor = 1.0807
Critical_Temperature = 820.0 K
Critical_Pressure = 43.622 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.215
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MALIC ACID
Acentric_factor = 1.5256
Critical_Temperature = 781.0 K
Critical_Pressure = 50.037 Bar
Critical_Volume = 0.331 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TARTARIC ACID
Acentric_factor = 2.0109
Critical_Temperature = 828.0 K
Critical_Pressure = 51.123 Bar
Critical_Volume = 0.305 cm3/mol
Compressibility_factor_Z = 0.23
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LEVULINIC ACID
Acentric_factor = 0.7557
Critical_Temperature = 738.0 K
Critical_Pressure = 39.674 Bar
Critical_Volume = 0.343 cm3/mol
Compressibility_factor_Z = 0.225
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ASCORBIC ACID
Acentric_factor = 2.3885
Critical_Temperature = 783.0 K
Critical_Pressure = 52.208 Bar
Critical_Volume = 0.339 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CITRIC ACID
Acentric_factor = 1.8454000000000002
Critical_Temperature = 822.0 K
Critical_Pressure = 37.482 Bar
Critical_Volume = 0.4197 cm3/mol
Compressibility_factor_Z = 0.233
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROXYCAPROIC ACID
Acentric_factor = 1.1628
Critical_Temperature = 758.0 K
Critical_Pressure = 35.924 Bar
Critical_Volume = 0.402 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SALICYLIC ACID
Acentric_factor = 0.8512000000000001
Critical_Temperature = 739.0 K
Critical_Pressure = 51.123 Bar
Critical_Volume = 0.326 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHYL-3-ETHOXYPROPIONATE
Acentric_factor = 0.5781000000000001
Critical_Temperature = 609.0 K
Critical_Pressure = 26.844 Bar
Critical_Volume = 0.462 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETOL
Acentric_factor = 0.7736000000000001
Critical_Temperature = 596.0 K
Critical_Pressure = 56.649 Bar
Critical_Volume = 0.228 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2,3-EPOXY-1-PROPANOL
Acentric_factor = 0.6723
Critical_Temperature = 630.0 K
Critical_Pressure = 58.722 Bar
Critical_Volume = 0.216 cm3/mol
Compressibility_factor_Z = 0.245
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHOXYETHANOL
Acentric_factor = 0.7311000000000001
Critical_Temperature = 564.0 K
Critical_Pressure = 49.445 Bar
Critical_Volume = 0.242 cm3/mol
Compressibility_factor_Z = 0.259
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETALDOL
Acentric_factor = 0.0
Critical_Temperature = 0.0 K
Critical_Pressure = 45.3 Bar
Critical_Volume = 0.278 cm3/mol
Compressibility_factor_Z = 0.0
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-ETHOXYETHANOL
Acentric_factor = 0.7591
Critical_Temperature = 569.0 K
Critical_Pressure = 41.846 Bar
Critical_Volume = 0.294 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FURFURAL
Acentric_factor = 0.3678
Critical_Temperature = 670.15 K
Critical_Pressure = 55.86 Bar
Critical_Volume = 0.252 cm3/mol
Compressibility_factor_Z = 0.256
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SUCROSE
Acentric_factor = 0.36960000000000004
Critical_Temperature = 1063.0 K
Critical_Pressure = 26.548000000000002 Bar
Critical_Volume = 0.761 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROXYACETONITRILE
Acentric_factor = 0.8007000000000001
Critical_Temperature = 664.0 K
Critical_Pressure = 58.525 Bar
Critical_Volume = 0.195 cm3/mol
Compressibility_factor_Z = 0.209
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = AMINOACETONITRILE
Acentric_factor = 0.4657
Critical_Temperature = 638.0 K
Critical_Pressure = 53.689 Bar
Critical_Volume = 0.229 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDRACRYLONITRILE
Acentric_factor = 0.8265
Critical_Temperature = 690.0 K
Critical_Pressure = 48.261 Bar
Critical_Volume = 0.243 cm3/mol
Compressibility_factor_Z = 0.20700000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LACTONITRILE
Acentric_factor = 0.7886000000000001
Critical_Temperature = 643.0 K
Critical_Pressure = 49.642 Bar
Critical_Volume = 0.243 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHOXYPROPIONITRILE
Acentric_factor = 0.4597
Critical_Temperature = 638.0 K
Critical_Pressure = 35.825 Bar
Critical_Volume = 0.324 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = AMINOCAPRONITRILE
Acentric_factor = 0.6616000000000001
Critical_Temperature = 698.0 K
Critical_Pressure = 30.101 Bar
Critical_Volume = 0.441 cm3/mol
Compressibility_factor_Z = 0.232
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHENYLACETONITRILE
Acentric_factor = 0.47150000000000003
Critical_Temperature = 732.0 K
Critical_Pressure = 34.148 Bar
Critical_Volume = 0.391 cm3/mol
Compressibility_factor_Z = 0.222
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-NITROANILINE
Acentric_factor = 0.7297
Critical_Temperature = 815.0 K
Critical_Pressure = 43.622 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-NITROANILINE
Acentric_factor = 0.741
Critical_Temperature = 784.0 K
Critical_Pressure = 43.622 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-NITROANILINE
Acentric_factor = 0.7824
Critical_Temperature = 851.0 K
Critical_Pressure = 43.622 Bar
Critical_Volume = 0.406 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4,4'-DINITRODIPHENYLAMINE
Acentric_factor = 1.0247
Critical_Temperature = 926.0 K
Critical_Pressure = 25.857 Bar
Critical_Volume = 0.71 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-NITRODIPHENYLAMINE
Acentric_factor = 0.7669
Critical_Temperature = 835.0 K
Critical_Pressure = 28.325 Bar
Critical_Volume = 0.623 cm3/mol
Compressibility_factor_Z = 0.258
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-NITRODIPHENYLAMINE
Acentric_factor = 0.0
Critical_Temperature = 900.0 K
Critical_Pressure = 28.325 Bar
Critical_Volume = 0.623 cm3/mol
Compressibility_factor_Z = 0.23900000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4,4'-DINITROTRIPHENYLAMINE
Acentric_factor = 1.09
Critical_Temperature = 946.0 K
Critical_Pressure = 19.738 Bar
Critical_Volume = 0.929 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FORMAMIDE
Acentric_factor = 0.41240000000000004
Critical_Temperature = 771.0 K
Critical_Pressure = 76.98 Bar
Critical_Volume = 0.163 cm3/mol
Compressibility_factor_Z = 0.198
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = UREA
Acentric_factor = 0.0
Critical_Temperature = 705.0 K
Critical_Pressure = 89.317 Bar
Critical_Volume = 0.218 cm3/mol
Compressibility_factor_Z = 0.337
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETAMIDE
Acentric_factor = 0.421
Critical_Temperature = 761.0 K
Critical_Pressure = 65.137 Bar
Critical_Volume = 0.215 cm3/mol
Compressibility_factor_Z = 0.224
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLFORMAMIDE
Acentric_factor = 0.41
Critical_Temperature = 721.0 K
Critical_Pressure = 55.465 Bar
Critical_Volume = 0.215 cm3/mol
Compressibility_factor_Z = 0.202
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MONOETHANOLAMINE
Acentric_factor = 0.44670000000000004
Critical_Temperature = 678.2 K
Critical_Pressure = 70.308 Bar
Critical_Volume = 0.225 cm3/mol
Compressibility_factor_Z = 0.28400000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACRYLAMIDE
Acentric_factor = 0.4863
Critical_Temperature = 776.0 K
Critical_Pressure = 56.551 Bar
Critical_Volume = 0.26 cm3/mol
Compressibility_factor_Z = 0.231
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N,N-DIMETHYLFORMAMIDE
Acentric_factor = 0.31770000000000004
Critical_Temperature = 649.6 K
Critical_Pressure = 43.622 Bar
Critical_Volume = 0.262 cm3/mol
Compressibility_factor_Z = 0.214
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N-METHYLACETAMIDE
Acentric_factor = 0.43510000000000004
Critical_Temperature = 718.0 K
Critical_Pressure = 49.149 Bar
Critical_Volume = 0.267 cm3/mol
Compressibility_factor_Z = 0.223
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-AMINO-2-PROPANOL
Acentric_factor = 0.787
Critical_Temperature = 614.0 K
Critical_Pressure = 55.959 Bar
Critical_Volume = 0.278 cm3/mol
Compressibility_factor_Z = 0.309
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-AMINO-1-PROPANOL
Acentric_factor = 0.8273
Critical_Temperature = 649.0 K
Critical_Pressure = 54.281 Bar
Critical_Volume = 0.245 cm3/mol
Compressibility_factor_Z = 0.25
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHYLETHANOLAMINE
Acentric_factor = 0.5855
Critical_Temperature = 630.0 K
Critical_Pressure = 51.517 Bar
Critical_Volume = 0.253 cm3/mol
Compressibility_factor_Z = 0.252
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHACRYLAMIDE
Acentric_factor = 0.4209
Critical_Temperature = 741.0 K
Critical_Pressure = 53.787 Bar
Critical_Volume = 0.298 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = N,N-DIMETHYLACETAMIDE
Acentric_factor = 0.3635
Critical_Temperature = 658.0 K
Critical_Pressure = 39.773 Bar
Critical_Volume = 0.321 cm3/mol
Compressibility_factor_Z = 0.23600000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYLETHANOLAMINE
Acentric_factor = 0.711
Critical_Temperature = 571.82 K
Critical_Pressure = 40.859 Bar
Critical_Volume = 0.30000000000000004 cm3/mol
Compressibility_factor_Z = 0.261
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-AMINOETHOXYETHANOL
Acentric_factor = 0.9693
Critical_Temperature = 699.0 K
Critical_Pressure = 43.03 Bar
Critical_Volume = 0.33 cm3/mol
Compressibility_factor_Z = 0.248
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIETHANOLAMINE
Acentric_factor = 0.9529000000000001
Critical_Temperature = 736.6 K
Critical_Pressure = 42.142 Bar
Critical_Volume = 0.34900000000000003 cm3/mol
Compressibility_factor_Z = 0.243
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LYSINE
Acentric_factor = 1.0119
Critical_Temperature = 821.0 K
Critical_Pressure = 34.838 Bar
Critical_Volume = 0.502 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FORMANILIDE
Acentric_factor = 0.5449
Critical_Temperature = 787.0 K
Critical_Pressure = 40.563 Bar
Critical_Volume = 0.382 cm3/mol
Compressibility_factor_Z = 0.24
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-NITROANISOLE
Acentric_factor = 0.5613
Critical_Temperature = 782.0 K
Critical_Pressure = 37.108 Bar
Critical_Volume = 0.422 cm3/mol
Compressibility_factor_Z = 0.244
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETANILIDE
Acentric_factor = 0.5635
Critical_Temperature = 825.0 K
Critical_Pressure = 36.812 Bar
Critical_Volume = 0.43 cm3/mol
Compressibility_factor_Z = 0.234
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETAMINOPHEN
Acentric_factor = 0.7997000000000001
Critical_Temperature = 736.0 K
Critical_Pressure = 42.043 Bar
Critical_Volume = 0.452 cm3/mol
Compressibility_factor_Z = 0.315
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-PHENETIDINE
Acentric_factor = 0.5351
Critical_Temperature = 754.0 K
Critical_Pressure = 35.233 Bar
Critical_Volume = 0.446 cm3/mol
Compressibility_factor_Z = 0.254
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 8-HYDROXYQUINOLINE
Acentric_factor = 0.5223
Critical_Temperature = 788.0 K
Critical_Pressure = 43.03 Bar
Critical_Volume = 0.41400000000000003 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = L-PHENYLALANINE
Acentric_factor = 0.8516
Critical_Temperature = 854.0 K
Critical_Pressure = 34.246 Bar
Critical_Volume = 0.506 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ACETOACETANILIDE
Acentric_factor = 0.8004
Critical_Temperature = 803.0 K
Critical_Pressure = 29.904 Bar
Critical_Volume = 0.534 cm3/mol
Compressibility_factor_Z = 0.242
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1-CHLORO-2,4-DINITROBENZENE
Acentric_factor = 0.7319
Critical_Temperature = 813.77 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.47800000000000004 cm3/mol
Compressibility_factor_Z = 0.247
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 1,2-DICHLORO-4-NITROBENZENE
Acentric_factor = 0.5385
Critical_Temperature = 758.0 K
Critical_Pressure = 35.529 Bar
Critical_Volume = 0.436 cm3/mol
Compressibility_factor_Z = 0.249
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-CHLORONITROBENZENE
Acentric_factor = 0.4919
Critical_Temperature = 742.0 K
Critical_Pressure = 39.28 Bar
Critical_Volume = 0.432 cm3/mol
Compressibility_factor_Z = 0.279
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-CHLORONITROBENZENE
Acentric_factor = 0.4864
Critical_Temperature = 757.0 K
Critical_Pressure = 39.28 Bar
Critical_Volume = 0.432 cm3/mol
Compressibility_factor_Z = 0.273
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CHLORONITROBENZENE
Acentric_factor = 0.4874
Critical_Temperature = 751.0 K
Critical_Pressure = 39.28 Bar
Critical_Volume = 0.432 cm3/mol
Compressibility_factor_Z = 0.275
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3,4-DICHLOROANILINE
Acentric_factor = 0.46780000000000005
Critical_Temperature = 800.0 K
Critical_Pressure = 40.563 Bar
Critical_Volume = 0.40900000000000003 cm3/mol
Compressibility_factor_Z = 0.253
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-CHLOROANILINE
Acentric_factor = 0.4198
Critical_Temperature = 751.0 K
Critical_Pressure = 45.3 Bar
Critical_Volume = 0.364 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = o-CHLOROANILINE
Acentric_factor = 0.4213
Critical_Temperature = 722.0 K
Critical_Pressure = 45.3 Bar
Critical_Volume = 0.364 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = p-CHLOROANILINE
Acentric_factor = 0.421
Critical_Temperature = 754.0 K
Critical_Pressure = 45.3 Bar
Critical_Volume = 0.364 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 4-CHLORO-3-NITROBENZOTRIFLUORIDE
Acentric_factor = 0.6038
Critical_Temperature = 686.0 K
Critical_Pressure = 27.042 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.23500000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIPHENYLPHOSPHINE
Acentric_factor = 0.45170000000000005
Critical_Temperature = 1008.0 K
Critical_Pressure = 77.375 Bar
Critical_Volume = 0.554 cm3/mol
Compressibility_factor_Z = 0.518
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROXYLAMINE
Acentric_factor = 0.0
Critical_Temperature = 574.0 K
Critical_Pressure = 135.208 Bar
Critical_Volume = 0.0 cm3/mol
Compressibility_factor_Z = 0.0
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SILVER
Acentric_factor = 0.1499
Critical_Temperature = 6410.0 K
Critical_Pressure = 4747.1 Bar
Critical_Volume = 0.0398 cm3/mol
Compressibility_factor_Z = 0.359
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ALUMINUM
Acentric_factor = 0.0
Critical_Temperature = 7151.0 K
Critical_Pressure = 5386.626 Bar
Critical_Volume = 0.039 cm3/mol
Compressibility_factor_Z = 0.358
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ARGON
Acentric_factor = 0.0
Critical_Temperature = 150.86 K
Critical_Pressure = 48.339 Bar
Critical_Volume = 0.0746 cm3/mol
Compressibility_factor_Z = 0.291
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ARSENIC
Acentric_factor = -0.368
Critical_Temperature = 1673.0 K
Critical_Pressure = 220.084 Bar
Critical_Volume = 0.035 cm3/mol
Compressibility_factor_Z = 0.056100000000000004
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BERYLLIUM
Acentric_factor = 0.22740000000000002
Critical_Temperature = 5205.0 K
Critical_Pressure = 386.874 Bar
Critical_Volume = 0.3115 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BISMUTH
Acentric_factor = -0.2366
Critical_Temperature = 4620.0 K
Critical_Pressure = 759.931 Bar
Critical_Volume = 0.10400000000000001 cm3/mol
Compressibility_factor_Z = 0.20800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = BROMINE
Acentric_factor = 0.129
Critical_Temperature = 584.15 K
Critical_Pressure = 101.653 Bar
Critical_Volume = 0.135 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON
Acentric_factor = 0.32680000000000003
Critical_Temperature = 6810.0 K
Critical_Pressure = 2200.838 Bar
Critical_Volume = 0.0188 cm3/mol
Compressibility_factor_Z = 0.074
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CALCIUM
Acentric_factor = 0.1187
Critical_Temperature = 3267.0 K
Critical_Pressure = 150.999 Bar
Critical_Volume = 0.5171 cm3/mol
Compressibility_factor_Z = 0.291
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLORINE
Acentric_factor = 0.0688
Critical_Temperature = 417.15 K
Critical_Pressure = 76.092 Bar
Critical_Volume = 0.124 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DEUTERIUM
Acentric_factor = -0.1449
Critical_Temperature = 38.35 K
Critical_Pressure = 16.4 Bar
Critical_Volume = 0.0603 cm3/mol
Compressibility_factor_Z = 0.314
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = FLUORINE
Acentric_factor = 0.053
Critical_Temperature = 144.12 K
Critical_Pressure = 51.048 Bar
Critical_Volume = 0.0665 cm3/mol
Compressibility_factor_Z = 0.28700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = IRON
Acentric_factor = -0.2984
Critical_Temperature = 9340.0 K
Critical_Pressure = 10017.268 Bar
Critical_Volume = 0.028 cm3/mol
Compressibility_factor_Z = 0.366
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = GERMANIUM
Acentric_factor = -0.07150000000000001
Critical_Temperature = 9803.0 K
Critical_Pressure = 6425.856 Bar
Critical_Volume = 0.045 cm3/mol
Compressibility_factor_Z = 0.359
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROGEN
Acentric_factor = -0.216
Critical_Temperature = 33.19 K
Critical_Pressure = 12.958 Bar
Critical_Volume = 0.0641 cm3/mol
Compressibility_factor_Z = 0.305
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HELIUM-3
Acentric_factor = -0.47150000000000003
Critical_Temperature = 3.31 K
Critical_Pressure = 1.155 Bar
Critical_Volume = 0.07250000000000001 cm3/mol
Compressibility_factor_Z = 0.308
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HELIUM-4
Acentric_factor = -0.39
Critical_Temperature = 5.2 K
Critical_Pressure = 2.245 Bar
Critical_Volume = 0.057300000000000004 cm3/mol
Compressibility_factor_Z = 0.302
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MERCURY
Acentric_factor = -0.1645
Critical_Temperature = 1735.0 K
Critical_Pressure = 1587.002 Bar
Critical_Volume = 0.0563 cm3/mol
Compressibility_factor_Z = 0.628
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = IODINE
Acentric_factor = 0.1115
Critical_Temperature = 819.15 K
Critical_Pressure = 115.016 Bar
Critical_Volume = 0.155 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = POTASSIUM
Acentric_factor = -0.18330000000000002
Critical_Temperature = 2223.0 K
Critical_Pressure = 160.0 Bar
Critical_Volume = 0.209 cm3/mol
Compressibility_factor_Z = 0.183
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = KRYPTON
Acentric_factor = 0.0
Critical_Temperature = 209.35 K
Critical_Pressure = 54.3 Bar
Critical_Volume = 0.0912 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = LITHIUM
Acentric_factor = -0.044500000000000005
Critical_Temperature = 4085.0 K
Critical_Pressure = 1699.995 Bar
Critical_Volume = 0.047 cm3/mol
Compressibility_factor_Z = 0.23800000000000002
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITROGEN
Acentric_factor = 0.037700000000000004
Critical_Temperature = 126.2 K
Critical_Pressure = 33.555 Bar
Critical_Volume = 0.0892 cm3/mol
Compressibility_factor_Z = 0.289
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SODIUM
Acentric_factor = -0.10550000000000001
Critical_Temperature = 2573.0 K
Critical_Pressure = 349.999 Bar
Critical_Volume = 0.116 cm3/mol
Compressibility_factor_Z = 0.192
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NEON
Acentric_factor = -0.0396
Critical_Temperature = 44.4 K
Critical_Pressure = 26.183 Bar
Critical_Volume = 0.0417 cm3/mol
Compressibility_factor_Z = 0.30000000000000004
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OXYGEN
Acentric_factor = 0.0222
Critical_Temperature = 154.58 K
Critical_Pressure = 49.771 Bar
Critical_Volume = 0.0734 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHOSPHORUS
Acentric_factor = 0.0
Critical_Temperature = 993.75 K
Critical_Pressure = 82.2 Bar
Critical_Volume = 0.0 cm3/mol
Compressibility_factor_Z = 0.0
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SULFUR
Acentric_factor = 0.24630000000000002
Critical_Temperature = 1313.0 K
Critical_Pressure = 179.7 Bar
Critical_Volume = 0.158 cm3/mol
Compressibility_factor_Z = 0.264
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SILICON
Acentric_factor = 1.0596
Critical_Temperature = 4886.0 K
Critical_Pressure = 529.978 Bar
Critical_Volume = 0.2326 cm3/mol
Compressibility_factor_Z = 0.307
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = VANADIUM
Acentric_factor = -0.24080000000000001
Critical_Temperature = 11325.0 K
Critical_Pressure = 10179.124 Bar
Critical_Volume = 0.0328 cm3/mol
Compressibility_factor_Z = 0.359
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = XENON
Acentric_factor = 0.0
Critical_Temperature = 289.74 K
Critical_Pressure = 57.64 Bar
Critical_Volume = 0.11800000000000001 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ZINC
Acentric_factor = 0.078
Critical_Temperature = 3170.0 K
Critical_Pressure = 2866.024 Bar
Critical_Volume = 0.033 cm3/mol
Compressibility_factor_Z = 0.36360000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYLDICHLOROSILANE
Acentric_factor = 0.2675
Critical_Temperature = 520.35 K
Critical_Pressure = 34.444 Bar
Critical_Volume = 0.358 cm3/mol
Compressibility_factor_Z = 0.289
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DIMETHYLCHLOROSILANE
Acentric_factor = 0.2526
Critical_Temperature = 472.0 K
Critical_Pressure = 35.727 Bar
Critical_Volume = 0.299 cm3/mol
Compressibility_factor_Z = 0.276
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMETHYLCHLOROSILANE
Acentric_factor = 0.2701
Critical_Temperature = 497.75 K
Critical_Pressure = 31.582 Bar
Critical_Volume = 0.366 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAMETHYLSILANE
Acentric_factor = 0.224
Critical_Temperature = 450.4 K
Critical_Pressure = 27.772 Bar
Critical_Volume = 0.357 cm3/mol
Compressibility_factor_Z = 0.268
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLDISILOXANE
Acentric_factor = 0.4176
Critical_Temperature = 518.7 K
Critical_Pressure = 18.89 Bar
Critical_Volume = 0.601 cm3/mol
Compressibility_factor_Z = 0.267
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLCYCLOTRISILOXANE
Acentric_factor = 0.4742
Critical_Temperature = 554.2 K
Critical_Pressure = 16.413 Bar
Critical_Volume = 0.634 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HEXAMETHYLDISILAZANE
Acentric_factor = 0.5101
Critical_Temperature = 544.0 K
Critical_Pressure = 18.949 Bar
Critical_Volume = 0.613 cm3/mol
Compressibility_factor_Z = 0.26
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = OCTAMETHYLCYCLOTETRASILOXANE
Acentric_factor = 0.589
Critical_Temperature = 586.5 K
Critical_Pressure = 13.146 Bar
Critical_Volume = 0.97 cm3/mol
Compressibility_factor_Z = 0.265
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DECAMETHYLCYCLOPENTASILOXANE
Acentric_factor = 0.6658000000000001
Critical_Temperature = 619.15 K
Critical_Pressure = 11.448 Bar
Critical_Volume = 1.216 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DODECAMETHYLCYCLOHEXASILOXANE
Acentric_factor = 0.7462000000000001
Critical_Temperature = 645.8 K
Critical_Pressure = 9.484 Bar
Critical_Volume = 1.61 cm3/mol
Compressibility_factor_Z = 0.28800000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DICHLOROSILANE
Acentric_factor = 0.0985
Critical_Temperature = 459.0 K
Critical_Pressure = 45.3 Bar
Critical_Volume = 0.23700000000000002 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRICHLOROSILANE
Acentric_factor = 0.2031
Critical_Temperature = 479.0 K
Critical_Pressure = 41.155 Bar
Critical_Volume = 0.268 cm3/mol
Compressibility_factor_Z = 0.281
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRACHLOROSILANE
Acentric_factor = 0.2318
Critical_Temperature = 507.0 K
Critical_Pressure = 35.431 Bar
Critical_Volume = 0.326 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TETRAFLUOROSILANE
Acentric_factor = 0.38580000000000003
Critical_Temperature = 259.0 K
Critical_Pressure = 36.714 Bar
Critical_Volume = 0.202 cm3/mol
Compressibility_factor_Z = 0.34900000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = SILANE
Acentric_factor = 0.0965
Critical_Temperature = 269.7 K
Critical_Pressure = 47.8 Bar
Critical_Volume = 0.1327 cm3/mol
Compressibility_factor_Z = 0.28700000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = DISILANE
Acentric_factor = 0.1017
Critical_Temperature = 432.0 K
Critical_Pressure = 50.629 Bar
Critical_Volume = 0.198 cm3/mol
Compressibility_factor_Z = 0.28300000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMETHYLALUMINUM
Acentric_factor = 0.2179
Critical_Temperature = 620.0 K
Critical_Pressure = 39.477 Bar
Critical_Volume = 0.271 cm3/mol
Compressibility_factor_Z = 0.21
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = TRIMETHYLGALLIUM
Acentric_factor = 0.20770000000000002
Critical_Temperature = 510.0 K
Critical_Pressure = 39.872 Bar
Critical_Volume = 0.211 cm3/mol
Compressibility_factor_Z = 0.201
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CHLOROSULFONIC ACID
Acentric_factor = 0.301
Critical_Temperature = 700.0 K
Critical_Pressure = 83.888 Bar
Critical_Volume = 0.195 cm3/mol
Compressibility_factor_Z = 0.28500000000000003
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PERCHLORIC ACID
Acentric_factor = 0.049800000000000004
Critical_Temperature = 631.0 K
Critical_Pressure = 38.095 Bar
Critical_Volume = 0.168 cm3/mol
Compressibility_factor_Z = 0.124
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NITRIC ACID
Acentric_factor = 0.7144
Critical_Temperature = 520.0 K
Critical_Pressure = 68.0 Bar
Critical_Volume = 0.145 cm3/mol
Compressibility_factor_Z = 0.231
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = WATER
Acentric_factor = 0.34490000000000004
Critical_Temperature = 647.13 K
Critical_Pressure = 217.666 Bar
Critical_Volume = 0.055900000000000005 cm3/mol
Compressibility_factor_Z = 0.229
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = HYDROGEN PEROXIDE
Acentric_factor = 0.3582
Critical_Temperature = 730.15 K
Critical_Pressure = 214.162 Bar
Critical_Volume = 0.0777 cm3/mol
Compressibility_factor_Z = 0.278
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = MAGNESIUM OXIDE
Acentric_factor = 0.0
Critical_Temperature = 5950.0 K
Critical_Pressure = 33.47 Bar
Critical_Volume = 0.20950000000000002 cm3/mol
Compressibility_factor_Z = 0.014400000000000001
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = PHOSPHORUS PENTOXIDE
Acentric_factor = 0.5936
Critical_Temperature = 1291.0 K
Critical_Pressure = 228.966 Bar
Critical_Volume = 0.0 cm3/mol
Compressibility_factor_Z = 0.0
The NMODEL is eos_PR and method ICALC is constants_eps
params = [ac, b, rm, del1]
In [13]:
components_table_PR_all = pd.DataFrame(component_eos_list, index=components, columns=['ac', 'b', 'rm', 'del1'])
print(components_table_PR_all)
components_table_PR_all
ac b rm del1
METHANE 2.528951 0.027157 0.392340 2.414214
ETHANE 6.128134 0.041073 0.525423 2.414214
PROPANE 10.312189 0.057060 0.603265 2.414214
n-BUTANE 15.248188 0.073399 0.672582 2.414214
n-PENTANE 20.967239 0.091349 0.745445 2.414214
n-HEXANE 27.280355 0.109979 0.814819 2.414214
n-HEPTANE 34.109839 0.129214 0.880689 2.414214
n-OCTANE 41.600631 0.149692 0.947826 2.414214
n-NONANE 49.446035 0.170173 1.005541 2.414214
n-DECANE 57.916241 0.191869 1.068477 2.414214
n-UNDECANE 67.064566 0.214771 1.116594 2.414214
n-DODECANE 76.191481 0.236954 1.173921 2.414214
n-TRIDECANE 86.862503 0.263337 1.223942 2.414214
n-TETRADECANE 97.967992 0.289290 1.254715 2.414214
n-PENTADECANE 108.478717 0.313541 1.305959 2.414214
n-HEXADECANE 119.583747 0.338467 1.342140 2.414214
n-HEPTADECANE 129.470036 0.359977 1.401807 2.414214
n-OCTADECANE 140.721622 0.385499 1.448323 2.414214
n-NONADECANE 152.079496 0.410567 1.492926 2.414214
n-EICOSANE 162.855391 0.433934 1.551315 2.414214
n-HENEICOSANE 174.644990 0.459367 1.587932 2.414214
n-DOCOSANE 187.148169 0.486624 1.619718 2.414214
n-TRICOSANE 198.946080 0.511453 1.673058 2.414214
n-TETRACOSANE 211.254092 0.537690 1.716791 2.414214
n-PENTACOSANE 222.281736 0.560184 1.749542 2.414214
n-HEXACOSANE 236.076320 0.589864 1.795319 2.414214
n-OCTACOSANE 260.822935 0.641513 1.869830 2.414214
n-TRIACONTANE 285.195112 0.691485 1.922236 2.414214
n-DOTRIACONTANE 312.170937 0.747153 1.986129 2.414214
n-HEXATRIACONTANE 359.786568 0.842396 2.099573 2.414214
... ... ... ... ...
SULFUR 30.324294 0.047262 0.738124 2.414214
SILICON 142.383086 0.059633 1.705765 2.414214
VANADIUM 39.826793 0.007196 -0.012387 2.414214
XENON 4.603650 0.032514 0.374640 2.414214
ZINC 11.082762 0.007154 0.493294 2.414214
DIMETHYLDICHLOROSILANE 24.847738 0.097718 0.767880 2.414214
DIMETHYLCHLOROSILANE 19.710460 0.085455 0.746992 2.414214
TRIMETHYLCHLOROSILANE 24.796605 0.101945 0.771513 2.414214
TETRAMETHYLSILANE 23.088671 0.104902 0.706563 2.414214
HEXAMETHYLDISILOXANE 45.020453 0.177614 0.971616 2.414214
HEXAMETHYLCYCLOTRISILOXANE 59.149952 0.218409 1.045284 2.414214
HEXAMETHYLDISILAZANE 49.365191 0.185697 1.091113 2.414214
OCTAMETHYLCYCLOTETRASILOXANE 82.708801 0.288580 1.189390 2.414214
DECAMETHYLCYCLOPENTASILOXANE 105.845270 0.349831 1.281824 2.414214
DODECAMETHYLCYCLOHEXASILOXANE 138.999698 0.440452 1.375179 2.414214
DICHLOROSILANE 14.700648 0.065540 0.523934 2.414214
TRICHLOROSILANE 17.622103 0.075284 0.676739 2.414214
TETRACHLOROSILANE 22.931994 0.092559 0.717633 2.414214
TETRAFLUOROSILANE 5.775335 0.045631 0.929469 2.414214
SILANE 4.809981 0.036496 0.520955 2.414214
DISILANE 11.651383 0.055192 0.528696 2.414214
TRIMETHYLALUMINUM 30.778578 0.101587 0.697883 2.414214
TRIMETHYLGALLIUM 20.619667 0.082736 0.683323 2.414214
CHLOROSULFONIC ACID 18.463140 0.053975 0.814405 2.414214
PERCHLORIC ACID 33.036959 0.107141 0.450775 2.414214
NITRIC ACID 12.569184 0.049464 1.338672 2.414214
WATER 6.081375 0.019231 0.874457 2.414214
HYDROGEN PEROXIDE 7.868484 0.022053 0.892445 2.414214
MAGNESIUM OXIDE 3343.393845 1.149883 0.374640 2.414214
PHOSPHORUS PENTOXIDE 23.008632 0.036471 1.195016 2.414214
[1150 rows x 4 columns]
Out[13]:
ac
b
rm
del1
METHANE
2.528951
0.027157
0.392340
2.414214
ETHANE
6.128134
0.041073
0.525423
2.414214
PROPANE
10.312189
0.057060
0.603265
2.414214
n-BUTANE
15.248188
0.073399
0.672582
2.414214
n-PENTANE
20.967239
0.091349
0.745445
2.414214
n-HEXANE
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
34.109839
0.129214
0.880689
2.414214
n-OCTANE
41.600631
0.149692
0.947826
2.414214
n-NONANE
49.446035
0.170173
1.005541
2.414214
n-DECANE
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
67.064566
0.214771
1.116594
2.414214
n-DODECANE
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
SULFUR
30.324294
0.047262
0.738124
2.414214
SILICON
142.383086
0.059633
1.705765
2.414214
VANADIUM
39.826793
0.007196
-0.012387
2.414214
XENON
4.603650
0.032514
0.374640
2.414214
ZINC
11.082762
0.007154
0.493294
2.414214
DIMETHYLDICHLOROSILANE
24.847738
0.097718
0.767880
2.414214
DIMETHYLCHLOROSILANE
19.710460
0.085455
0.746992
2.414214
TRIMETHYLCHLOROSILANE
24.796605
0.101945
0.771513
2.414214
TETRAMETHYLSILANE
23.088671
0.104902
0.706563
2.414214
HEXAMETHYLDISILOXANE
45.020453
0.177614
0.971616
2.414214
HEXAMETHYLCYCLOTRISILOXANE
59.149952
0.218409
1.045284
2.414214
HEXAMETHYLDISILAZANE
49.365191
0.185697
1.091113
2.414214
OCTAMETHYLCYCLOTETRASILOXANE
82.708801
0.288580
1.189390
2.414214
DECAMETHYLCYCLOPENTASILOXANE
105.845270
0.349831
1.281824
2.414214
DODECAMETHYLCYCLOHEXASILOXANE
138.999698
0.440452
1.375179
2.414214
DICHLOROSILANE
14.700648
0.065540
0.523934
2.414214
TRICHLOROSILANE
17.622103
0.075284
0.676739
2.414214
TETRACHLOROSILANE
22.931994
0.092559
0.717633
2.414214
TETRAFLUOROSILANE
5.775335
0.045631
0.929469
2.414214
SILANE
4.809981
0.036496
0.520955
2.414214
DISILANE
11.651383
0.055192
0.528696
2.414214
TRIMETHYLALUMINUM
30.778578
0.101587
0.697883
2.414214
TRIMETHYLGALLIUM
20.619667
0.082736
0.683323
2.414214
CHLOROSULFONIC ACID
18.463140
0.053975
0.814405
2.414214
PERCHLORIC ACID
33.036959
0.107141
0.450775
2.414214
NITRIC ACID
12.569184
0.049464
1.338672
2.414214
WATER
6.081375
0.019231
0.874457
2.414214
HYDROGEN PEROXIDE
7.868484
0.022053
0.892445
2.414214
MAGNESIUM OXIDE
3343.393845
1.149883
0.374640
2.414214
PHOSPHORUS PENTOXIDE
23.008632
0.036471
1.195016
2.414214
1150 rows × 4 columns
In [14]:
writer = pd.ExcelWriter('components_table_PR_all.xlsx')
components_table_PR_all.to_excel(writer,'Sheet1')
writer.save()
In [15]:
writer
Out[15]:
<pandas.io.excel._XlsxWriter at 0x7f4b7b73f080>
In [16]:
components_table_PR_all.to_excel('foo.xlsx', sheet_name='Sheet1')
In [17]:
components_table_PR_all.to_csv('datosAll.csv')
In [18]:
print(open('datosAll.csv').read())
,ac,b,rm,del1
METHANE,2.528951062492548,0.027157050568159646,0.39234029307999996,2.414213562373095
ETHANE,6.128134245965791,0.0410729647682302,0.52542259452,2.414213562373095
PROPANE,10.312189431620025,0.05706000173426174,0.6032653253232,2.414213562373095
n-BUTANE,15.248188387665353,0.07339893316824202,0.6725820476032,2.414213562373095
n-PENTANE,20.967239346781806,0.09134898546647106,0.74544534268,2.414213562373095
n-HEXANE,27.280355026897126,0.1099794238648431,0.8148191442352,2.414213562373095
n-HEPTANE,34.109839101923924,0.12921357032575062,0.88068907452,2.414213562373095
n-OCTANE,41.60063138947857,0.14969239248927058,0.9478262272128,2.414213562373095
n-NONANE,49.44603523698024,0.1701725884731181,1.00554113788,2.414213562373095
n-DECANE,57.916241069821154,0.1918694371562333,1.0684769784432,2.414213562373095
n-UNDECANE,67.06456631008193,0.21477083125978458,1.1165940911471999,2.414213562373095
n-DODECANE,76.19148088289337,0.23695373401901118,1.1739212637568,2.414213562373095
n-TRIDECANE,86.8625028665556,0.26333682917615964,1.2239424734208,2.414213562373095
n-TETRADECANE,97.96799235929008,0.2892903915981809,1.2547150259200002,2.414213562373095
n-PENTADECANE,108.47871664591241,0.3135409838108575,1.3059586423152,2.414213562373095
n-HEXADECANE,119.58374678635357,0.33846743875435736,1.3421395518208,2.414213562373095
n-HEPTADECANE,129.4700356361615,0.359976780902295,1.4018066327471999,2.414213562373095
n-OCTADECANE,140.72162217849254,0.38549900973616325,1.4483225443968002,2.414213562373095
n-NONADECANE,152.07949579227554,0.4105674299642681,1.4929259647872002,2.414213562373095
n-EICOSANE,162.85539073731005,0.4339342746725778,1.5513151367088,2.414213562373095
n-HENEICOSANE,174.64499000259934,0.45936676442446844,1.58793162912,2.414213562373095
n-DOCOSANE,187.14816888214474,0.486624404866322,1.6197178883199999,2.414213562373095
n-TRICOSANE,198.946080061542,0.5114525573004011,1.6730581201152,2.414213562373095
n-TETRACOSANE,211.25409161660914,0.5376901940237636,1.71679115328,2.414213562373095
n-PENTACOSANE,222.2817357202973,0.5601841103724987,1.7495419287471998,2.414213562373095
n-HEXACOSANE,236.07632001039553,0.5898635506430704,1.7953189279488,2.414213562373095
n-OCTACOSANE,260.8229350639085,0.6415130378459066,1.869829575,2.414213562373095
n-TRIACONTANE,285.19511244050545,0.6914848471021364,1.9222360157568,2.414213562373095
n-DOTRIACONTANE,312.1709372286317,0.7471527328386364,1.9861293626799998,2.414213562373095
n-HEXATRIACONTANE,359.78656827704333,0.8423964910336031,2.0995725340799996,2.414213562373095
ISOBUTANE,14.624766788247896,0.07332681558701795,0.6446572902912,2.414213562373095
ISOPENTANE,20.081972531076733,0.08925361012771885,0.7115341029999999,2.414213562373095
2-METHYLPENTANE,26.336090930435233,0.10832813434876662,0.7816923748608001,2.414213562373095
3-METHYLPENTANE,26.086963065953086,0.10582923373042066,0.7765363986351999,2.414213562373095
2-METHYLHEXANE,32.9528576800605,0.127144379864483,0.8510526246832,2.414213562373095
3-METHYLHEXANE,32.607350735919084,0.12466423453402167,0.8427139189248001,2.414213562373095
2-METHYLHEPTANE,40.38265956872741,0.14766215615043368,0.9179762975872,2.414213562373095
3-METHYLHEPTANE,39.96856188233899,0.14510308190944757,0.9107398120192,2.414213562373095
4-METHYLHEPTANE,39.757034111439346,0.14483104499640234,0.9091295663488,2.414213562373095
2-METHYLOCTANE,48.14906530850247,0.16792594397343097,0.9763535559552001,2.414213562373095
3-METHYLOCTANE,47.66888361062567,0.16529343514340356,0.9646297490031999,2.414213562373095
4-METHYLOCTANE,47.265868140974675,0.16459321725327647,0.9654214622128,2.414213562373095
2-METHYLNONANE,56.21407057020609,0.1885811306658342,1.0428390750832,2.414213562373095
3-METHYLNONANE,55.71649790175662,0.18599718525503156,1.0332983218608,2.414213562373095
4-METHYLNONANE,55.17248327893902,0.1850869217056595,1.0335565687408,2.414213562373095
5-METHYLNONANE,55.17248327893902,0.1850869217056595,1.0220436826752,2.414213562373095
NEOPENTANE,18.838498038577278,0.08887094242068089,0.6671282506368,2.414213562373095
"2,2-DIMETHYLBUTANE",24.834910518680694,0.10397578508589578,0.722164768,2.414213562373095
"2,3-DIMETHYLBUTANE",25.603809628597137,0.10479365620891805,0.7378424245167999,2.414213562373095
"2,2-DIMETHYLPENTANE",31.287869379375962,0.12300939762319102,0.7962839542128,2.414213562373095
"2,3-DIMETHYLPENTANE",31.801084386602426,0.12110657213661012,0.8070848847792,2.414213562373095
"2,4-DIMETHYLPENTANE",31.61610888674016,0.1244696689127659,0.8149571021568,2.414213562373095
"3,3-DIMETHYLPENTANE",31.28540822178041,0.1193537565936692,0.7674607068671999,2.414213562373095
"2,2-DIMETHYLHEXANE",38.266403026178544,0.1424281854881891,0.8648151699072,2.414213562373095
"2,3-DIMETHYLHEXANE",38.654960995454424,0.14040139810785918,0.8775743990272,2.414213562373095
"2,4-DIMETHYLHEXANE",38.32880396032004,0.14170679575489395,0.8726935216767999,2.414213562373095
"2,5-DIMETHYLHEXANE",38.90978621405909,0.14477020550219588,0.8916354110208,2.414213562373095
"3,3-DIMETHYLHEXANE",38.17336429745656,0.13899755375647227,0.8407972834431999,2.414213562373095
"3,4-DIMETHYLHEXANE",38.5209231185188,0.13858624703591677,0.8652231162287999,2.414213562373095
"2,2-DIMETHYLHEPTANE",45.34223202794068,0.16086467246859928,0.9349333930608,2.414213562373095
"2,6-DIMETHYLHEPTANE",46.6831037012902,0.16499249661589793,0.9386602507632,2.414213562373095
"2,2-DIMETHYLOCTANE",53.73482566573667,0.18265955224066724,0.9863310487552001,2.414213562373095
"2,3-DIMETHYLOCTANE",54.45712265690008,0.18179303999205737,0.9914389720431999,2.414213562373095
"2,4-DIMETHYLOCTANE",53.1341163188014,0.1812196334097342,0.9937937057200001,2.414213562373095
"2,5-DIMETHYLOCTANE",53.666785834897375,0.18212573157678288,1.0013692828271998,2.414213562373095
"2,6-DIMETHYLOCTANE",54.2021120568093,0.18303182974383156,0.9991507363968,2.414213562373095
"2,7-DIMETHYLOCTANE",54.85671847758117,0.1858557157238105,1.00358626912,2.414213562373095
3-ETHYLPENTANE,32.38350830596956,0.12257411269446049,0.8259762450688,2.414213562373095
"2,2,3-TRIMETHYLBUTANE",30.59411095954846,0.11786567148298287,0.7438978768128,2.414213562373095
3-ETHYLHEXANE,39.22761721448057,0.14197738090963427,0.8986440211071999,2.414213562373095
2-METHYL-3-ETHYLPENTANE,38.135295452974006,0.1376344311668184,0.8533729471488,2.414213562373095
3-METHYL-3-ETHYLPENTANE,37.88009776264475,0.13446052892689836,0.819919992,2.414213562373095
"2,2,3,3-TETRAMETHYLBUTANE",36.0027829678889,0.1297091975316522,0.736291752,2.414213562373095
"2,2,3-TRIMETHYLPENTANE",37.25213852356796,0.135282096372556,0.8090200367728,2.414213562373095
"2,2,4-TRIMETHYLPENTANE",36.903545242101735,0.13883026751928107,0.8160605711872,2.414213562373095
"2,3,3-TRIMETHYLPENTANE",37.35488061269366,0.13328981532766188,0.7996108156271999,2.414213562373095
"2,3,4-TRIMETHYLPENTANE",37.623265881784306,0.13595430554707802,0.8351781928367998,2.414213562373095
"3,3-DIETHYLPENTANE",44.55908411760234,0.14946993990758867,0.8652231162287999,2.414213562373095
"2,2-DIMETHYL-3-ETHYLPENTANE",43.380604381598275,0.1504619279799908,0.8614137277872,2.414213562373095
"2,4-DIMETHYL-3-ETHYLPENTANE",44.21637470799154,0.15310123249094176,0.8854233187199999,2.414213562373095
3-ETHYLHEPTANE,46.64881712531728,0.1617974452573234,0.9589501171199999,2.414213562373095
"2,2,3,3-TETRAMETHYLPENTANE",43.68322684215055,0.1463400399920671,0.7853110719999999,2.414213562373095
"2,2,3,4-TETRAMETHYLPENTANE",43.807882905713925,0.15139222358756674,0.8276261365887999,2.414213562373095
"2,2,4,4-TETRAMETHYLPENTANE",44.28512368622257,0.15861295857953672,0.8349038587248,2.414213562373095
"2,3,3,4-TETRAMETHYLPENTANE",43.54837767549083,0.1466445003366171,0.8305115762032,2.414213562373095
"2,2,5-TRIMETHYLHEXANE",44.355658795114444,0.15978849474769036,0.8943327577728,2.414213562373095
"2,4,4-TRIMETHYLHEXANE",43.948967569519354,0.154794519575251,0.8843417887872,2.414213562373095
CYCLOPROPANE,9.228506324266741,0.04746020352236181,0.5660061075888,2.414213562373095
CYCLOBUTANE,13.604359829652228,0.06052982352338406,0.6502873468272,2.414213562373095
CYCLOPENTANE,18.631846906998582,0.07450280174728169,0.6664100654448,2.414213562373095
CYCLOHEXANE,24.097748107197287,0.08907977364902711,0.6860395273727999,2.414213562373095
CYCLOHEPTANE,30.456170711537627,0.10313492084603619,0.73347067392,2.414213562373095
CYCLOOCTANE,37.69690948789095,0.12053378891764135,0.7997493673728,2.414213562373095
METHYLCYCLOPENTANE,24.019983716524553,0.09225707463085338,0.7153646405631999,2.414213562373095
"1,1-DIMETHYLCYCLOPENTANE",27.817482836021657,0.10406712055252941,0.7747230849408,2.414213562373095
"cis-1,2-DIMETHYLCYCLOPENTANE",29.693258997350195,0.10751700798987673,0.7660624221951999,2.414213562373095
"trans-1,2-DIMETHYLCYCLOPENTANE",28.445674488630765,0.10523406700805153,0.7710937205632,2.414213562373095
"cis 1,3-DIMETHYLCYCLOPENTANE",28.225807400509378,0.10482812326223713,0.7773730049391999,2.414213562373095
"trans 1,3-DIMETHYLCYCLOPENTANE",28.43108532363982,0.10520862461709098,0.7712333789808,2.414213562373095
ETHYLCYCLOPENTANE,30.571448642486807,0.10984747393584333,0.7736067461248001,2.414213562373095
ISOPROPYLCYCLOPENTANE,37.048318329413256,0.12784885473068466,0.81716369472,2.414213562373095
1-METHYL-1-ETHYLCYCLOPENTANE,35.92246767958459,0.12630664918737736,0.8539186786432,2.414213562373095
n-PROPYLCYCLOPENTANE,37.67148262086926,0.12934495346336236,0.8495504082048,2.414213562373095
n-BUTYLCYCLOPENTANE,45.40935046294402,0.14963621880202163,0.9108739640688001,2.414213562373095
METHYLCYCLOHEXANE,30.21017190960561,0.10804283437762582,0.722164768,2.414213562373095
"1,1-DIMETHYLCYCLOHEXANE",38.08962610067703,0.1318536180684,0.7187662590207999,2.414213562373095
"cis-1,2-DIMETHYLCYCLOHEXANE",40.04714319473655,0.1351993074383163,0.7184829095808001,2.414213562373095
"trans-1,2-DIMETHYLCYCLOHEXANE",38.73668198914187,0.1329688478583721,0.7262671510128,2.414213562373095
"cis-1,3-DIMETHYLCYCLOHEXANE",38.08962610067703,0.1318536180684,0.7244287131648,2.414213562373095
"trans-1,3-DIMETHYLCYCLOHEXANE",38.97747392210558,0.1333814828806618,0.72004106428,2.414213562373095
"cis-1,4-DIMETHYLCYCLOHEXANE",38.9970302912032,0.13341493977436092,0.7166406118768,2.414213562373095
"trans-1,4-DIMETHYLCYCLOHEXANE",37.96086890013066,0.13163057211040557,0.7249944835200001,2.414213562373095
ETHYLCYCLOHEXANE,39.093775075933856,0.1313307417524394,0.73699668412,2.414213562373095
ISOPROPYLCYCLOHEXANE,44.179519490774176,0.1441904452736693,0.85350938812,2.414213562373095
n-PROPYLCYCLOHEXANE,46.61096604276516,0.14923419476272715,0.7566799897200001,2.414213562373095
n-BUTYLCYCLOHEXANE,55.44255588257648,0.17009848468246416,0.7773730049391999,2.414213562373095
n-DECYLCYCLOHEXANE,129.11138265172326,0.35169248044842455,1.2781545874032,2.414213562373095
cis-DECAHYDRONAPHTHALENE,48.74933323713216,0.14205612634619139,0.8045952774767999,2.414213562373095
trans-DECAHYDRONAPHTHALENE,50.902669118928515,0.15161258316600282,0.7747230849408,2.414213562373095
BICYCLOHEXYL,66.12395759707336,0.1861261797900775,0.9847577281408001,2.414213562373095
ETHYLENE,5.065701885915436,0.036715568195737375,0.50602588108,2.414213562373095
PROPYLENE,9.175190754361864,0.05136030441043786,0.5849726207232,2.414213562373095
1-BUTENE,13.970781828333996,0.06807790159978235,0.65864506572,2.414213562373095
1-PENTENE,19.694176002531766,0.08671084509655672,0.7166406118768,2.414213562373095
1-HEXENE,25.912811191694804,0.10520616257478022,0.7858674707328,2.414213562373095
1-HEPTENE,32.670508872010416,0.12443145436282849,0.85555535488,2.414213562373095
1-OCTENE,40.04644286952287,0.14462124253584938,0.9169052189568,2.414213562373095
1-NONENE,48.37838868553275,0.16687707861819787,0.9709580130927999,2.414213562373095
1-DECENE,54.864170585619064,0.18214163210255882,1.0527352319999999,2.414213562373095
1-UNDECENE,64.21867345607798,0.2059793518748548,1.100473287,2.414213562373095
1-DODECENE,71.76018443437644,0.22330825479508318,1.1666484001199997,2.414213562373095
1-TRIDECENE,82.44205721721288,0.2499355788963722,1.2170426158512,2.414213562373095
1-TETRADECENE,92.39066163655438,0.2732153015340276,1.2609224702592,2.414213562373095
1-PENTADECENE,102.25492967603722,0.2955520883860203,1.3029102213552,2.414213562373095
1-HEXADECENE,112.8112518115161,0.31974094676756937,1.3588299935088,2.414213562373095
1-HEPTADECENE,123.04119152689248,0.34210210746140063,1.3825739582832002,2.414213562373095
1-OCTADECENE,133.7263018714831,0.36584596754744114,1.4246799039408,2.414213562373095
1-NONADECENE,144.5206838756082,0.3891342447713897,1.4806625443248,2.414213562373095
1-EICOSENE,156.0599950312019,0.4142096822921251,1.5193849454591999,2.414213562373095
cis-2-BUTENE,14.321561116461432,0.06728301834299809,0.6791735826431999,2.414213562373095
trans-2-BUTENE,14.3517756255522,0.06851822559013618,0.6975976051632,2.414213562373095
cis-2-PENTENE,19.869067986287313,0.08556262492844537,0.7365737410431998,2.414213562373095
trans-2-PENTENE,19.677623814631573,0.08491690166793922,0.7410826290047999,2.414213562373095
cis-2-HEXENE,26.67291306800524,0.10639865062631712,0.7744440326272001,2.414213562373095
trans-2-HEXENE,26.67291306800524,0.10639865062631712,0.7592030239152,2.414213562373095
cis-3-HEXENE,26.17632806151825,0.10523833741267699,0.7835021795952,2.414213562373095
trans-3-HEXENE,26.17632806151825,0.10523833741267699,0.7928151670528,2.414213562373095
cis-2-HEPTENE,33.98962748645124,0.12669430579860586,0.8050103334912,2.414213562373095
trans-2-HEPTENE,33.134892471263306,0.12487306504561793,0.8639991315072,2.414213562373095
cis-3-HEPTENE,33.49613672205195,0.12577121431737742,0.8059786085808,2.414213562373095
trans-3-HEPTENE,32.76977247547179,0.1241831586089018,0.8597798371248,2.414213562373095
cis-2-OCTENE,40.4597818503388,0.14474732409574745,0.9336013467568,2.414213562373095
cis-3-OCTENE,40.0364914899492,0.143988159808532,0.921722352,2.414213562373095
cis-4-OCTENE,39.895889345700596,0.14373510504612685,0.9289349334528,2.414213562373095
trans-2-OCTENE,41.32866489787994,0.14657455975810357,0.8656310139648,2.414213562373095
trans-3-OCTENE,40.900021313534985,0.1458124736588413,0.8729648650751999,2.414213562373095
trans-4-OCTENE,40.75763666504275,0.14555844495908724,0.8668544156592,2.414213562373095
ISOBUTENE,13.983307889704424,0.06847319374648903,0.6641109658992,2.414213562373095
2-METHYL-1-BUTENE,20.368450043123154,0.08963715522439943,0.715081032,2.414213562373095
2-METHYL-2-BUTENE,20.89747867275516,0.0907937636789078,0.7787669169072,2.414213562373095
3-METHYL-1-BUTENE,18.45518541098651,0.08385558534704751,0.7146555786672,2.414213562373095
2-METHYL-1-PENTENE,26.05263397747333,0.10515422196402101,0.7300825298688001,2.414213562373095
2-METHYL-2-PENTENE,26.777002385975216,0.10660605540336647,0.73558668492,2.414213562373095
3-METHYL-1-PENTENE,23.85269356340233,0.09860870733014677,0.76298429568,2.414213562373095
3-METHYL-cis-2-PENTENE,25.817532912971874,0.10258657867229083,0.75527754828,2.414213562373095
3-METHYL-trans-2-PENTENE,26.835784542912087,0.1062201203255822,0.7611641746032,2.414213562373095
4-METHYL-1-PENTENE,24.469914142663235,0.10095638817431965,0.7276807131567999,2.414213562373095
4-METHYL-cis-2-PENTENE,24.766816351120607,0.10156701148989013,0.7351635798912,2.414213562373095
4-METHYL-trans-2-PENTENE,24.965745804023378,0.10197409370027045,0.7506456613632001,2.414213562373095
2-METHYL-1-HEXENE,32.300106357114274,0.12285835963385366,0.8259762450688,2.414213562373095
3-METHYL-1-HEXENE,30.267411899726042,0.117307127457942,0.8208841858992,2.414213562373095
4-METHYL-1-HEXENE,30.04288441469239,0.11512864827350018,0.8163363844607999,2.414213562373095
2-METHYL-1-HEPTENE,39.6021519070693,0.14292847573274395,0.8882606909808,2.414213562373095
"2,3-DIMETHYL-1-BUTENE",24.86618161284554,0.1017705525950803,0.7106823379887999,2.414213562373095
"2,3-DIMETHYL-2-BUTENE",27.82904437285777,0.10868010317385997,0.7197578120111999,2.414213562373095
"3,3-DIMETHYL-1-BUTENE",22.428979071555542,0.0956205646837787,0.7089782249391999,2.414213562373095
2-ETHYL-1-BUTENE,26.5690264556204,0.10619124584926776,0.7118179814832,2.414213562373095
2-ETHYL-1-PENTENE,32.01157932744463,0.12063971630617899,0.8247383162799998,2.414213562373095
3-ETHYL-1-PENTENE,29.69147513106211,0.11464072948014313,0.8152330018048,2.414213562373095
"2,3,3-TRIMETHYL-1-BUTENE",28.760127016787745,0.11083560964071244,0.7300825298688001,2.414213562373095
"2,3-DIMETHYL-1-HEXENE",36.52110273930135,0.13321835201773857,0.8475008785007999,2.414213562373095
2-ETHYL-1-HEXENE,34.37200048538042,0.12253945730139862,0.9215886372208,2.414213562373095
"2,4,4-TRIMETHYL-1-PENTENE",37.24104137457353,0.13780967900895655,0.77067471292,2.414213562373095
"2,4,4-TRIMETHYL-2-PENTENE",37.91752239650471,0.1390556978065059,0.764383768,2.414213562373095
CYCLOPENTENE,17.144317518894766,0.06919827651063308,0.6664100654448,2.414213562373095
CYCLOHEXENE,23.122488285771553,0.08443441082066755,0.6898961554032,2.414213562373095
1-METHYLCYCLOPENTENE,22.78104895452069,0.08601168713827914,0.7176327316991999,2.414213562373095
3-METHYLCYCLOPENTENE,21.455894869830768,0.08347259674305318,0.7145137500927999,2.414213562373095
4-METHYLCYCLOPENTENE,21.53755376795685,0.0836312898927548,0.7231554140592,2.414213562373095
CYCLOHEPTENE,28.56141964172887,0.09773759358043238,0.7457266299312,2.414213562373095
CYCLOOCTENE,34.76238730095145,0.11255778843364869,0.7858674707328,2.414213562373095
PROPADIENE,9.725862341316276,0.0506235822984364,0.57277966588,2.414213562373095
"1,2-BUTADIENE",15.007724307878826,0.06794530368093951,0.6230719771248001,2.414213562373095
"1,3-BUTADIENE",13.536578460446899,0.06515223635673428,0.6572053753199999,2.414213562373095
CYCLOPENTADIENE,15.985666985174431,0.06452170540051397,0.67516270432,2.414213562373095
ISOPRENE,19.487257955285124,0.08239263800851769,0.6120158624112,2.414213562373095
"3-METHYL-1,2-BUTADIENE",20.0780332551079,0.08385097656288991,0.6541802683008,2.414213562373095
"1,2-PENTADIENE",21.07091127308798,0.0862375380881278,0.6060384314112,2.414213562373095
"cis-1,3-PENTADIENE",21.32330895457348,0.08744542434876373,0.59551951872,2.414213562373095
"trans-1,3-PENTADIENE",21.408858754155087,0.08762066568012399,0.5502060333951999,2.414213562373095
"1,4-PENTADIENE",19.64827984564839,0.08394059772155879,0.5018361861552,2.414213562373095
"2,3-PENTADIENE",20.818818890616754,0.08572011285959903,0.6985947886848001,2.414213562373095
"1,3-CYCLOHEXADIENE",21.083250387174147,0.07731903113184523,0.7162153366912,2.414213562373095
"1,4-CYCLOHEXADIENE",21.922682868288845,0.07884324142297479,0.6791735826431999,2.414213562373095
METHYLCYCLOPENTADIENE,21.15990741319703,0.08003860924897462,0.7258429771007999,2.414213562373095
"2,3-DIMETHYL-1,3-BUTADIENE",25.173928465581522,0.09793733572961565,0.6926077197312,2.414213562373095
"1,4-HEXADIENE",24.866837149833437,0.09977768189272997,0.7853110719999999,2.414213562373095
"1,5-HEXADIENE",24.575146568733313,0.09919075435218448,0.7180578449328,2.414213562373095
"cis,trans-2,4-HEXADIENE",27.672267635510913,0.10525567227115436,0.7789062784128,2.414213562373095
"trans,trans-2,4-HEXADIENE",27.364515429492787,0.10466874473060887,0.7882312017327999,2.414213562373095
"1,5-CYCLOOCTADIENE",34.16495379756593,0.1083937293916753,0.7933703997311999,2.414213562373095
VINYLCYCLOHEXENE,33.50359896377402,0.11445840112023367,0.8533729471488,2.414213562373095
"2,5-DIMETHYL-1,5-HEXADIENE",37.578256709392726,0.13562401772436244,0.8457236369152,2.414213562373095
"2,5-DIMETHYL-2,4-HEXADIENE",41.52054358091148,0.1425606958795768,0.8480475385199999,2.414213562373095
DICYCLOPENTADIENE,45.59216835930381,0.14136091509977333,0.79642263552,2.414213562373095
ACETYLENE,4.959447137574808,0.03291657225636402,0.6540361562032,2.414213562373095
METHYLACETYLENE,9.214388643688212,0.04686001058771134,0.6953173352368001,2.414213562373095
VINYLACETYLENE,13.583310583311356,0.06122556673660461,0.5364230535088,2.414213562373095
DIMETHYLACETYLENE,14.726105799810924,0.06368339621675291,0.72711535308,2.414213562373095
ETHYLACETYLENE,12.709181580874045,0.05868145434079077,0.7389697760688001,2.414213562373095
2-METHYL-1-BUTENE-3-YNE,17.70045494876147,0.07362111015486507,0.5808634915199999,2.414213562373095
1-PENTENE-3-YNE,19.682315074941794,0.07745614384699641,0.7465703621231999,2.414213562373095
1-PENTENE-4-YNE,18.416430676020518,0.07492392375969076,0.6414777386368,2.414213562373095
3-METHYL-1-BUTYNE,16.361058922244943,0.07228128982527356,0.8241879853488,2.414213562373095
1-PENTYNE,17.784348120194768,0.07563022074159884,0.7990565546608001,2.414213562373095
2-PENTYNE,21.406993887695542,0.08440561973635331,0.6365587468032,2.414213562373095
1-HEXYNE,23.574840873981852,0.09345742385268382,0.8578726488431999,2.414213562373095
2-HEXYNE,27.346439773171298,0.1019322204842162,0.7028654362368,2.414213562373095
3-HEXYNE,26.8505943932277,0.10100387603536178,0.6984523500912,2.414213562373095
1-HEPTYNE,31.87317838400648,0.11668004856715303,0.7752811247872,2.414213562373095
1-OCTYNE,38.86800414919354,0.13596258407442408,0.8451766098048,2.414213562373095
BENZENE,20.66481581673946,0.0752236901184988,0.686611128,2.414213562373095
TOLUENE,27.318550457862614,0.09446386842760394,0.7603238110128,2.414213562373095
ETHYLBENZENE,33.83432934669862,0.11217980760229526,0.8166121761408001,2.414213562373095
n-PROPYLBENZENE,40.787607854032295,0.1307470800224753,0.8741856431472,2.414213562373095
n-BUTYLBENZENE,48.40584186534745,0.14995989116394653,0.9401232154752001,2.414213562373095
n-PENTYLBENZENE,56.85690006634698,0.1711280383817165,0.9981061747072001,2.414213562373095
n-HEXYLBENZENE,65.5625198335861,0.19221321817544393,1.0514518252799998,2.414213562373095
n-HEPTYLBENZENE,74.89699488271785,0.21465905676190625,1.1126979503871999,2.414213562373095
n-OCTYLBENZENE,84.26094999177704,0.23652761827648397,1.1623251091200002,2.414213562373095
n-NONYLBENZENE,92.80207413940519,0.2562846001145354,1.2428566565488,2.414213562373095
n-DECYLBENZENE,102.59618857761244,0.2788170235688419,1.2982132170671998,2.414213562373095
n-UNDECYLBENZENE,111.81131943809292,0.2994852581858262,1.3604354760112,2.414213562373095
n-DODECYLBENZENE,124.9081058256061,0.32770197257948347,1.3604354760112,2.414213562373095
n-TRIDECYLBENZENE,135.06169814451852,0.3498550525573127,1.4132713508208,2.414213562373095
n-TETRADECYLBENZENE,146.41161661829796,0.37451445505323083,1.4500886275200002,2.414213562373095
n-PENTADECYLBENZENE,157.60644128228367,0.3986653375367236,1.4977904364911998,2.414213562373095
n-HEXADECYLBENZENE,168.74318284931178,0.4221394778636968,1.5436161952127998,2.414213562373095
n-HEPTADECYLBENZENE,180.5894383761784,0.4473993366101391,1.56453604092,2.414213562373095
n-OCTADECYLBENZENE,192.04888943088173,0.47122550140225244,1.5966988385199998,2.414213562373095
m-XYLENE,34.48652970378666,0.11437001384128624,0.8485941121648,2.414213562373095
o-XYLENE,34.07879358710238,0.11063671448974326,0.8273512086528,2.414213562373095
p-XYLENE,34.64010674676853,0.11503219849793947,0.84257705148,2.414213562373095
CUMENE,39.75187485825454,0.12889689986163666,0.8484574768512001,2.414213562373095
m-ETHYLTOLUENE,45.780980614294954,0.147036934316178,0.8440822964607999,2.414213562373095
o-ETHYLTOLUENE,44.67351805312208,0.14039516302979624,0.8036266244992001,2.414213562373095
p-ETHYLTOLUENE,40.60648413996323,0.1297903499832706,0.9033531357551999,2.414213562373095
MESITYLENE,41.6072424275747,0.13358791295915037,0.94703020608,2.414213562373095
"1,2,3-TRIMETHYLBENZENE",40.94600187309802,0.12608979711102614,0.9034875847168,2.414213562373095
"1,2,4-TRIMETHYLBENZENE",41.75638015667656,0.13163585474102815,0.9181101581232,2.414213562373095
sec-BUTYLBENZENE,47.945703588945044,0.14764257288049393,0.7840588590448,2.414213562373095
tert-BUTYLBENZENE,46.97337214966482,0.1456434100714095,0.7677402990208,2.414213562373095
m-CYMENE,47.18313828789065,0.14696180923566207,0.8692999072368,2.414213562373095
o-CYMENE,47.90403141403861,0.14808024005176298,0.8639991315072,2.414213562373095
p-CYMENE,48.79680965667869,0.15288382269876105,0.9040253265792,2.414213562373095
m-DIETHYLBENZENE,48.88396914621153,0.1508814915511617,0.88677474528,2.414213562373095
o-DIETHYLBENZENE,49.62406413623138,0.15201936101987334,0.86712622332,2.414213562373095
p-DIETHYLBENZENE,49.46625439939517,0.15384825352052217,0.95233334272,2.414213562373095
2-ETHYL-m-XYLENE,47.74910478892504,0.14562158351328214,0.9570987806847998,2.414213562373095
2-ETHYL-p-XYLENE,48.88396914621153,0.1508814915511617,0.9634418147968,2.414213562373095
3-ETHYL-o-XYLENE,47.31460050415506,0.1423866592745433,0.8977014046128,2.414213562373095
4-ETHYL-m-XYLENE,49.179339889035376,0.15133663933864636,0.96687243168,2.414213562373095
4-ETHYL-o-XYLENE,49.47560030277135,0.151791787126131,0.9634418147968,2.414213562373095
5-ETHYL-m-XYLENE,49.966862038061635,0.15610751555283583,0.9706945837487999,2.414213562373095
ISOBUTYLBENZENE,44.53344030507266,0.14017020725658452,0.9213211914671999,2.414213562373095
1-METHYL-2-n-PROPYLBENZENE,47.74058713812223,0.14757500350071792,0.95762784192,2.414213562373095
1-METHYL-3-n-PROPYLBENZENE,48.74925292260655,0.15253631555627323,0.9652895235071998,2.414213562373095
1-METHYL-4-n-PROPYLBENZENE,49.04786939395022,0.15300278746928936,0.9660810747648,2.414213562373095
"1,2,3,4-TETRAMETHYLBENZENE",49.457988518789286,0.14604485119779143,0.9710897196672,2.414213562373095
"1,2,3,5-TETRAMETHYLBENZENE",49.7168284418127,0.1498361749067985,0.9802957648512001,2.414213562373095
"1,2,4,5-TETRAMETHYLBENZENE",49.656067300101355,0.15050644050379108,0.9932705827248,2.414213562373095
m-DIISOPROPYLBENZENE,61.15968310647031,0.18297517050360917,0.8931192189552,2.414213562373095
p-DIISOPROPYLBENZENE,62.05709860296051,0.18431270829968818,0.935066568,2.414213562373095
p-tert-BUTYL ETHYLBENZENE,62.95888022114403,0.18835793872779893,0.9940552348272002,2.414213562373095
ETHYNYLBENZENE,31.616378585513853,0.09953637093264142,0.7099723853568,2.414213562373095
STYRENE,33.73706201223719,0.10855083775526518,0.8090200367728,2.414213562373095
alpha-METHYLSTYRENE,40.7696701336705,0.12756821686083428,0.84462949632,2.414213562373095
m-METHYLSTYRENE,42.020166611362306,0.1308806479109221,0.8796060330352,2.414213562373095
o-METHYLSTYRENE,40.083930127466296,0.12447092516589722,0.8694357165952,2.414213562373095
p-METHYLSTYRENE,42.152660585207094,0.12971385965207155,0.837097927,2.414213562373095
cis-1-PROPENYLBENZENE,42.916741601094984,0.13088421026547373,0.8692999072368,2.414213562373095
trans-1-PROPENYLBENZENE,42.788918167673614,0.13068915182990667,0.8668544156592,2.414213562373095
m-DIVINYLBENZENE,49.15680077915271,0.14536523399038628,0.9128855970048,2.414213562373095
2-PHENYLBUTENE-1,47.19691381021744,0.14501816578146445,0.8856936472192,2.414213562373095
cis-2-PHENYLBUTENE-2,49.928243294193464,0.14915532066111584,0.8900159664767999,2.414213562373095
trans-2-PHENYLBUTENE-2,45.511446552974064,0.14240522585747412,0.89621961568,2.414213562373095
p-ISOPROPENYLSTYRENE,63.259381489836564,0.17469873856764986,0.9573633220991999,2.414213562373095
CYCLOHEXYLBENZENE,61.55810975140955,0.16931497694429007,0.9194484665712,2.414213562373095
p-tert-BUTYLSTYRENE,64.91743405013347,0.18736917561379404,0.9768794645248,2.414213562373095
4-ISOBUTYLSTYRENE,72.69749894725629,0.2024021710013629,1.0309731282288,2.414213562373095
NAPHTHALENE,44.27678267192273,0.12107495841141953,0.8160605711872,2.414213562373095
"1,2,3,4-TETRAHYDRONAPHTHALENE",45.88372832259169,0.1303823397665832,0.8520082405248,2.414213562373095
1-METHYLNAPHTHALENE,52.158988243247705,0.1382523086539768,0.8783871983872,2.414213562373095
2-METHYLNAPHTHALENE,52.994543234143535,0.1425048128938337,0.9104714917248,2.414213562373095
"2,6-DIMETHYLNAPHTHALENE",60.997944134275976,0.16064869974390966,0.9717481715631999,2.414213562373095
"2,7-DIMETHYLNAPHTHALENE",61.155054034792265,0.16085545482723515,0.9742490579327999,2.414213562373095
1-ETHYLNAPHTHALENE,64.28707851871978,0.1695293920125093,0.8983747291008,2.414213562373095
2-ETHYLNAPHTHALENE,60.05952821402176,0.15940816924395673,0.9764850411951999,2.414213562373095
1-n-PROPYLNAPHTHALENE,65.94431687431502,0.1725653737512761,1.0210067219328,2.414213562373095
1-n-BUTYLNAPHTHALENE,74.96076437086595,0.19368315928982177,1.0720490532208,2.414213562373095
1-PHENYLNAPHTHALENE,87.77825330135468,0.2115739918238773,1.1173475836848001,2.414213562373095
1-n-HEXYLNAPHTHALENE,94.08493198320691,0.2368168311102579,1.1874306619008,2.414213562373095
"1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE",102.83371953547484,0.27013516523089537,1.1891453540351997,2.414213562373095
1-n-NONYLNAPHTHALENE,137.41690848552244,0.3312192118082364,1.2232169985791999,2.414213562373095
1-n-DECYLNAPHTHALENE,149.57739601523681,0.35633283265561083,1.25292170428,2.414213562373095
ACENAPHTHALENE,62.77981817520753,0.1622101058582669,0.9466321226352,2.414213562373095
ACENAPHTHENE,66.64263945195852,0.16980034233480243,0.9231928582767999,2.414213562373095
FLUORENE,51.578684796010656,0.12132045963563994,0.8804183465391999,2.414213562373095
ANTHRACENE,84.1691620026394,0.19729759681858333,1.0600403420591997,2.414213562373095
PHENANTHRENE,83.44761229206334,0.19645009855046228,1.0717940453808,2.414213562373095
FLUORANTHENE,100.50264206892338,0.22725420891973647,1.187553175,2.414213562373095
PYRENE,107.50583035440373,0.23503860723632417,1.0876905351808002,2.414213562373095
CHRYSENE,128.4405025406671,0.26847406594393153,1.20647743872,2.414213562373095
BIPHENYL,51.82033270914973,0.13435787907975758,0.9021428521728,2.414213562373095
DIPHENYLMETHANE,64.69458370326619,0.17238113597236696,1.02890482108,2.414213562373095
DIPHENYLACETYLENE,76.44888725939445,0.18803161575379304,0.9265324887168,2.414213562373095
cis-STILBENE,71.84600703591258,0.18752950598924192,1.0473412960511999,2.414213562373095
trans-STILBENE,78.59559677437073,0.1961405547336459,1.0622156635008,2.414213562373095
"1,1-DIPHENYLETHANE",71.77728851050175,0.18952581874950997,1.0225620334848,2.414213562373095
"1,2-DIPHENYLETHANE",73.53210711165188,0.1929147543239295,1.06362239308,2.414213562373095
m-TERPHENYL,78.04795007531595,0.17269240418241333,1.1521703597952,2.414213562373095
o-TERPHENYL,65.18806243325392,0.14972619101009788,1.0549157844912,2.414213562373095
p-TERPHENYL,82.71056065310323,0.1827916968608619,1.1086706860800002,2.414213562373095
"2,4-DIPHENYL-4-METHYLPENTENE-1",111.65524424207942,0.2736375454876292,1.1371196121712002,2.414213562373095
"2,3-DIMETHYL-2,3-DIPHENYLBUTANE",104.2940654474928,0.26512260129224446,1.1046378938111998,2.414213562373095
TRIPHENYLMETHANE,108.92854538904687,0.25769656670458585,1.17034881468,2.414213562373095
TRIPHENYLETHYLENE,125.74377009755287,0.28338944105712943,1.2025811180032,2.414213562373095
"1,1,2-TRIPHENYLETHANE",110.77949936738506,0.26987530605195525,1.2169214091648,2.414213562373095
TETRAPHENYLMETHANE,172.8932862306993,0.35992138144157504,1.2978605935488,2.414213562373095
TETRAPHENYLETHYLENE,185.80546336785707,0.3817527524716023,1.3549265594800002,2.414213562373095
"1,1,2,2-TETRAPHENYLETHANE",131.16272439637677,0.3245547391445286,1.3591741145471998,2.414213562373095
d-LIMONENE,50.73262654572495,0.15729917597690327,0.8299621522032,2.414213562373095
alpha-PHELLANDRENE,47.83765714265312,0.1508371231868397,0.9223908449199999,2.414213562373095
beta-PHELLANDRENE,47.690351126489766,0.15060470851320817,0.9139579712512,2.414213562373095
alpha-TERPINENE,48.62512802414449,0.15261464043419157,0.9156998425199999,2.414213562373095
gamma-TERPINENE,49.97680464412763,0.15472128424386597,0.91503,2.414213562373095
TERPINOLENE,52.213298079182096,0.1589991817029487,0.8138532876288,2.414213562373095
2-NORBORNENE,27.69946850684088,0.09722678316432785,0.61303549248,2.414213562373095
INDENE,39.57140255173157,0.11787121010935764,0.8593712429952,2.414213562373095
INDANE,38.03543557548076,0.11364341180209125,0.8255636507248001,2.414213562373095
1-METHYLINDENE,45.74616550345855,0.13316264336512218,0.8619581852592,2.414213562373095
2-METHYLINDENE,43.30681555331065,0.12956365300390268,0.8510526246832,2.414213562373095
ADAMANTANE,60.388368025046546,0.1665453162649691,0.64566841788,2.414213562373095
CAMPHENE,47.406821027727425,0.1520558701110065,0.8070848847792,2.414213562373095
alpha-PINENE,46.35027513430214,0.15007842865456467,0.7939255460352,2.414213562373095
beta-PINENE,47.97777525637439,0.1526905532039321,0.8476375516032,2.414213562373095
"1,2,3-TRIMETHYLINDENE",60.94187636936426,0.17177590166122136,1.0017606290688,2.414213562373095
1-PHENYLINDENE,86.82611613814697,0.2054079759275292,1.03858806688,2.414213562373095
AIR,1.48879055833509,0.023001951268712288,0.37464,2.414213562373095
ARSINE,6.80307846286207,0.037323269768197886,0.38357602789119993,2.414213562373095
DIBORANE,6.636606843059577,0.04686307100441713,0.5637948688127999,2.414213562373095
CARBON MONOXIDE,1.6172168309650052,0.02489779895059429,0.4483498430592,2.414213562373095
CARBON DIOXIDE,4.014554171083891,0.027005167303410037,0.7059941565568,2.414213562373095
PERCHLORYL FLUORIDE,8.094482375665507,0.04496271174061589,0.6327929540607999,2.414213562373095
NITROSYL CHLORIDE,6.819528662281576,0.03166967600352183,0.8232246983807999,2.414213562373095
CHLORINE DIOXIDE,8.040745190552911,0.035385585218290855,0.8900159664767999,2.414213562373095
NITROGEN TRIFLUORIDE,3.8664156492353814,0.03383406672406654,0.56394232252,2.414213562373095
TETRAFLUOROHYDRAZINE,8.261340487966399,0.05464915324488926,0.7055676667312,2.414213562373095
HYDROGEN SULFIDE,6.069591647631174,0.030209407992965672,0.45743756421119997,2.414213562373095
PHOSPHINE,5.168302494078515,0.03256730342483609,0.4293546716592,2.414213562373095
HYDRAZINE,9.294662444013971,0.02912082849541325,0.8327084084592,2.414213562373095
NITRIC OXIDE,1.6040464139725699,0.0182207269502312,1.1819119850928,2.414213562373095
NITROUS OXIDE,4.236456879753989,0.02800444427889214,0.5865857635248,2.414213562373095
OZONE,3.916956932323109,0.030710813797201256,0.6893250514288,2.414213562373095
SULFUR DIOXID,9.39901863279588,0.03918472028688616,0.9800331020799999,2.414213562373095
FORMALDEHYDE,8.090259797389026,0.04057750507380224,0.7878141860992,2.414213562373095
GLYOXAL,13.34626251492605,0.05517438484620058,0.9659491630511999,2.414213562373095
ACETALDEHYDE,12.531604946881824,0.05503054508227555,0.8001649902192,2.414213562373095
ACROLEIN,16.400549482217762,0.06632708603757316,0.8402494789632,2.414213562373095
1-PROPANAL,16.561803535648878,0.06719169337395521,0.7516286740847999,2.414213562373095
trans-CROTONALDEHYDE,24.398549470117096,0.08774750507500205,0.8653590875392,2.414213562373095
METHACROLEIN,21.1685550333607,0.08173317695914076,0.7371376543488001,2.414213562373095
1-BUTANAL,21.395136432904952,0.08150084133701031,0.7816923748608001,2.414213562373095
2-METHYLPROPANAL,20.079663302082363,0.08104598458857067,0.8978360803072,2.414213562373095
1-PENTANAL,25.853545708110204,0.09345660365479584,0.8775743990272,2.414213562373095
1-HEXANAL,32.33099039720747,0.11194754228845978,0.9313356291072,2.414213562373095
BENZALDEHYDE,33.26916828587793,0.09795805986615287,0.8305115762032,2.414213562373095
1-HEPTANAL,38.341698917148484,0.12716547687975133,0.9837084158591999,2.414213562373095
2-METHYLHEXANAL,39.384861251178826,0.1361415368453146,1.0281288496048,2.414213562373095
3-METHYLHEXANAL,39.78504355496879,0.1368314432820307,1.02308029792,2.414213562373095
TEREPHTHALDEHYDE,47.659529472974505,0.13197399022027514,1.1822802369792,2.414213562373095
p-TOLUALDEHYDE,42.51789145143854,0.12465202323917732,1.0038469884671999,2.414213562373095
2-ETHYLHEXANAL,45.737995947961785,0.15419542075072595,1.10299799292,2.414213562373095
1-OCTANAL,44.056566727380414,0.1412878905997638,1.0436113540528,2.414213562373095
1-NONANAL,50.79432058859558,0.1579691560126741,1.0931394286512,2.414213562373095
1-DECANAL,55.99253935274936,0.1699512845485291,1.1808069379200001,2.414213562373095
1-UNDECANAL,61.59502765490642,0.1821472403773083,1.22768766412,2.414213562373095
1-DODECANAL,66.61509923608142,0.1925406604810336,1.2926831999999997,2.414213562373095
1-TRIDECANAL,71.43803891321409,0.20191751537320718,1.3406376232368002,2.414213562373095
KETENE,7.546665125320911,0.041738457085456954,0.5642372137392,2.414213562373095
ACETONE,17.59573699603369,0.07085260738722123,0.8219857978799999,2.414213562373095
DIKETENE,20.39099134680858,0.06773929368103701,0.9245291153327999,2.414213562373095
METHYL ETHYL KETONE,22.1309538114899,0.08457143356872597,0.8451766098048,2.414213562373095
CYCLOPENTANONE,24.196034302306224,0.07802872935085817,0.7887871470000001,2.414213562373095
METHYL ETHYL KETONE KETONE,26.376232192035303,0.09536288074080831,0.7939255460352,2.414213562373095
ACETYLACETONE,33.819805296044755,0.10702490643712234,0.6880397516799999,2.414213562373095
METHYL ISOPROPYL KETONE,25.437591313642905,0.0941312639041178,0.8813657999999999,2.414213562373095
2-PENTANONE,27.29467754315504,0.09954884267037135,0.8722864660912,2.414213562373095
3-PENTANONE,26.946465810049936,0.09830162482653111,0.8743212581631999,2.414213562373095
QUINONE,25.0679213462994,0.07510704153270824,1.07128396492,2.414213562373095
CYCLOHEXANONE,34.142203021288,0.1069944855622334,0.8218481152768,2.414213562373095
MESITYL OXIDE,33.81233241467435,0.11532060584485848,0.8479108816128,2.414213562373095
"3,3-DIMETHYL-2-BUTANONE",30.6862699053817,0.1113391835731153,0.8539186786432,2.414213562373095
ETHYL ISOPROPYL KETONE,31.013587802459814,0.11193141327297229,0.9365311360367999,2.414213562373095
2-HEXANONE,33.21128355733989,0.1157693524261605,0.9439769913712,2.414213562373095
3-HEXANONE,32.768366002017274,0.1150544378902182,0.9169052189568,2.414213562373095
METHYL ISOBUTYL KETONE,31.97892870646958,0.11452669036757243,0.9340010173312001,2.414213562373095
3-METHYL-2-PENTANONE,31.673432900017815,0.11311587267268629,0.9289349334528,2.414213562373095
DIISOPROPYL KETONE,35.18561612658641,0.12500451878338376,0.9553787351472,2.414213562373095
2-HEPTANONE,41.02130039216033,0.13726521315612109,0.9651575794032,2.414213562373095
3-HEPTANONE,39.48644024857557,0.13467276247841167,1.0461842137008,2.414213562373095
4-HEPTANONE,38.83107502500545,0.13355048945775824,1.0348474792368,2.414213562373095
5-METHYL-2-HEXANONE,38.95047978381791,0.13262377189835925,0.9936629330687998,2.414213562373095
ACETOPHENONE,41.985354813411206,0.12109562796754819,0.9006630228592,2.414213562373095
2-OCTANONE,47.237556179860306,0.15491228769399282,1.1138296224688,2.414213562373095
ISOPHORONE,49.16859139075147,0.14072289484297126,0.9486220540032,2.414213562373095
DIISOBUTYL KETONE,48.8448867047128,0.16252756417839678,1.0930128235648,2.414213562373095
2-NONANONE,54.944991389883626,0.17486390492839632,1.1701022715312,2.414213562373095
5-NONANONE,54.4334814530845,0.17404805467212076,1.1183519380912,2.414213562373095
CAMPHOR,53.84523758212974,0.1554118385009056,0.83915361088,2.414213562373095
2-CYCLOHEXYL CYCLOHEXANONE,66.80578970558709,0.1808320236324833,1.0930128235648,2.414213562373095
BENZOPHENONE,70.85091452266714,0.17767991483134385,1.134998712,2.414213562373095
ANTHRAQUINONE,82.35719663335577,0.18725873339083576,1.2993882778992003,2.414213562373095
METHANOL,10.395077565566297,0.0414952399204301,1.15861416768,2.414213562373095
ETHANOL,13.758890534728332,0.05478616888460418,1.2573430338432,2.414213562373095
1-PROPANOL,17.832433072539597,0.06798252835421968,1.2292566840192,2.414213562373095
1-BUTANOL,22.956152368492848,0.08343248357037361,1.1948940818799998,2.414213562373095
1-PENTANOL,28.360080971228385,0.09901060925167549,1.1952606170752,2.414213562373095
1-HEXANOL,34.103482703649405,0.1141541885677876,1.1772432558448,2.414213562373095
1-HEPTANOL,40.598804669134566,0.131476437366299,1.1874306619008,2.414213562373095
1-OCTANOL,47.67832771285029,0.14952834762805103,1.1956271036848,2.414213562373095
1-NONANOL,55.11566597232316,0.16861526881416652,1.2351624819312,2.414213562373095
1-DECANOL,63.29932800402333,0.1892657954634461,1.2763772180351998,2.414213562373095
1-UNDECANOL,73.72410494181428,0.21460370690604524,1.214981368,2.414213562373095
1-DODECANOL,83.1279672684691,0.23646113132040952,1.2825335719167998,2.414213562373095
1-TRIDECANOL,89.17359826334263,0.2486126753871904,1.3363579099008,2.414213562373095
1-TETRADECANOL,98.74068254969633,0.2704945747093473,1.3717583348992002,2.414213562373095
1-PENTADECANOL,108.53071928635205,0.2926132185847615,1.4130470922671998,2.414213562373095
1-HEXADECANOL,117.94898416461734,0.313463165838967,1.4537268093551998,2.414213562373095
1-HEPTADECANOL,129.90308006559252,0.3408065097158692,1.4896769104512,2.414213562373095
1-OCTADECANOL,138.80602048260886,0.3595541020019779,1.5319607155968,2.414213562373095
1-NONADECANOL,148.158226463842,0.3794565266291228,1.5526831633791998,2.414213562373095
1-EICOSANOL,161.24256806478996,0.40786291664123414,1.5632805996912,2.414213562373095
PROPARGYL ALCOHOL,16.49944514624099,0.05821358988092521,1.1469550892927998,2.414213562373095
ALLYL ALCOHOL,16.930235149457335,0.06356377504265506,1.1645493418752,2.414213562373095
ISOPROPANOL,17.377184125644554,0.06995879637015795,1.2840703795632,2.414213562373095
2-BUTANOL,22.022120876028836,0.08406919279663273,1.1687458982272,2.414213562373095
2-METHYL-1-PROPANOL,22.349445598072254,0.08349176047964751,1.1842434264832,2.414213562373095
2-METHYL-2-PROPANOL,20.65731717394008,0.08350764441454402,1.21680019708,2.414213562373095
"2,2-DIMETHYL-1-PROPANOL",24.969813971856166,0.09290426527070123,1.2072073834368,2.414213562373095
2-METHYL-1-BUTANOL,26.35037641377119,0.09543801795990217,1.2966848309248,2.414213562373095
2-METHYL-2-BUTANOL,25.519311145837772,0.09604895626069596,1.0520935961199998,2.414213562373095
3-METHYL-1-BUTANOL,27.151071366899618,0.09625951842615786,1.1893902236799998,2.414213562373095
3-METHYL-2-BUTANOL,26.647490985787353,0.09500084480771395,0.88271884608,2.414213562373095
2-PENTANOL,27.111062258540446,0.098999144911705,1.1567568750000001,2.414213562373095
3-PENTANOL,24.69815890481029,0.09239751473286105,1.2924476156032,2.414213562373095
2-ETHYL-1-BUTANOL,31.688965635364234,0.11180548393581004,1.3377467347968,2.414213562373095
2-HEXANOL,32.370074923974705,0.1130006460054687,1.1604702457199998,2.414213562373095
2-METHYL-1-PENTANOL,31.907887026971203,0.11219102008731283,1.3522824625152,2.414213562373095
4-METHYL-2-PENTANOL,30.45287709298919,0.10849180487904607,1.16973241632,2.414213562373095
2-HEPTANOL,36.54556560239921,0.12718631874400785,1.3939061906032002,2.414213562373095
5-METHYL-1-HEXANOL,38.689292220886465,0.13086347421789923,1.4141681690992003,2.414213562373095
2-ETHYL-1-HEXANOL,48.09085991057486,0.1537078299956149,1.1399865820800001,2.414213562373095
2-OCTANOL,47.62628904123792,0.1529635984095369,1.0854066393088,2.414213562373095
"2,6-DIMETHYL-4-HEPTANOL",45.66805282473724,0.1549809141911385,1.4381407471872,2.414213562373095
2-NONANOL,50.123913098852455,0.16464174387502634,1.5338724457728001,2.414213562373095
8-METHYL-1-NONANOL,58.25858523903677,0.1851216030354522,1.5577264355200002,2.414213562373095
CYCLOHEXANOL,31.764522785055902,0.10000276641045534,0.9118128772608001,2.414213562373095
1-METHYLCYCLOHEXANOL,30.087501640693258,0.10044045888154529,1.2136467880368,2.414213562373095
cis-2-METHYLCYCLOHEXANOL,31.858697298084614,0.10617998952113682,1.2970376163952,2.414213562373095
trans-2-METHYLCYCLOHEXANOL,32.06658384158452,0.10652585267918611,1.3020888691199999,2.414213562373095
cis-3-METHYLCYCLOHEXANOL,32.27514643888441,0.10687171583723543,1.3268468010111998,2.414213562373095
trans-3-METHYLCYCLOHEXANOL,32.17078063350946,0.10669878425821076,1.3185822511728003,2.414213562373095
cis-4-METHYLCYCLOHEXANOL,32.69429979488421,0.10756344215333402,1.3049038326528,2.414213562373095
trans-4-METHYLCYCLOHEXANOL,32.69429979488421,0.10756344215333402,1.3119276375167999,2.414213562373095
L-MENTHOL,51.168450595174264,0.1591326916342436,1.4129349548928,2.414213562373095
PHENOL,25.18257168217872,0.07422790891915618,1.00554113788,2.414213562373095
BENZYL ALCOHOL,36.50568893845303,0.10373387936400662,0.9049661669999999,2.414213562373095
m-CRESOL,34.99315026265995,0.10145037539019715,1.01139845632,2.414213562373095
o-CRESOL,31.105531350814346,0.09125261466217365,0.9930089888367999,2.414213562373095
p-CRESOL,30.87889532693511,0.08967498956700624,1.0874368553472,2.414213562373095
4-HYDROXYSTYRENE,38.3833132616341,0.10672045837012377,1.08971919648,2.414213562373095
p-ETHYLPHENOL,38.321323278595045,0.10945551433779532,1.1086706860800002,2.414213562373095
alpha-METHYLBENZYL ALCOHOL,35.81859858154564,0.10972741881933719,1.3289377148800001,2.414213562373095
2-PHENYLETHANOL,38.22578999442842,0.1143624375830969,1.3714159953327998,2.414213562373095
"2,3-XYLENOL",34.16241247617594,0.09669929453937973,1.09225307968,2.414213562373095
"2,4-XYLENOL",36.450753844149695,0.10540738498716731,1.0951643758512,2.414213562373095
"2,5-XYLENOL",32.67625383943518,0.09457256546658611,1.1577475822512,2.414213562373095
"2,6-XYLENOL",36.606010368951466,0.10685293125754297,1.0208770775472,2.414213562373095
"3,4-XYLENOL",34.13057390352535,0.09568272026309592,1.16973241632,2.414213562373095
"3,5-XYLENOL",44.968476065613146,0.12858506542562348,1.0669447936368,2.414213562373095
1-PHENYL-1-PROPANOL,42.060368797142765,0.12713567800790854,1.3754069338368,2.414213562373095
1-PHENYL-2-PROPANOL,42.18471571763029,0.12732347073761005,1.3790500048128003,2.414213562373095
2-PHENYL-2-PROPANOL,39.97455244602761,0.12394320160298324,1.3190485829999998,2.414213562373095
p-tert-BUTYLPHENOL,51.66241561857398,0.14403289330064542,1.0908597111407998,2.414213562373095
p-tert-AMYLPHENOL,60.61696234343016,0.16517231959062983,1.1649198772848,2.414213562373095
p-tert-OCTYLPHENOL,82.20742965769863,0.2199037675809331,1.2406949048752003,2.414213562373095
p-CUMYLPHENOL,83.12195410981982,0.20395423591882747,1.2751916303232,2.414213562373095
"2,6-DI-tert-BUTYL-p-CRESOL",78.6882990069232,0.2236457742471879,1.3053726909312,2.414213562373095
NONYLPHENOL,88.66535763352972,0.23968514933924576,1.5438275084032,2.414213562373095
DINONYLPHENOL,202.75254509169258,0.46829080280344565,1.7778521113199999,2.414213562373095
ETHYLENE GLYCOL,21.544614881872377,0.061259051532231795,1.0614480811392,2.414213562373095
"1,2-PROPYLENE GLYCOL",20.575342183332886,0.06725983059417726,1.7506762298799998,2.414213562373095
"1,3-PROPYLENE GLYCOL",17.67169133849031,0.049948515689869605,1.3679899274608,2.414213562373095
GLYCEROL,78.9699674686731,0.22351501224819362,1.68025815228,2.414213562373095
"2-BUTYNE-1,4-DIOL",26.399499792086143,0.07773094171901455,1.7767365966192004,2.414213562373095
"cis-2-BUTENE-1,4-DIOL",28.30272902861671,0.08543946660468472,1.8131381305968,2.414213562373095
"trans-2-BUTENE-1,4-DIOL",28.563859992992555,0.08583270897178011,1.8128655437568,2.414213562373095
"1,2-BUTANEDIOL",25.02173382450637,0.0819257485641961,1.8059438044799996,2.414213562373095
"1,3-BUTANEDIOL",26.483739719701337,0.08428521012284494,1.793571723,2.414213562373095
"1,4-BUTANEDIOL",29.198226556323863,0.0895805399585985,1.8159520163199998,2.414213562373095
"2,3-BUTANEDIOL",23.307322772938043,0.07806101897535182,1.74973103292,2.414213562373095
"2-METHYL-1,3-PROPANEDIOL",29.08311718674537,0.08538689297237055,1.3386721861887998,2.414213562373095
DIETHYLENE GLYCOL,38.60278720577019,0.10609103020742452,1.2284119405167997,2.414213562373095
NEOPENTYL GLYCOL,31.2303833152125,0.09939153034273066,1.7848989855087998,2.414213562373095
"1,5-PENTANEDIOL",34.955161250153424,0.10628678765966867,1.8558614293248001,2.414213562373095
"2,4-PENTANEDIOL",29.264227529514066,0.09520712593663531,1.7655386942832,2.414213562373095
PENTAERYTHRITOL,40.76492204114535,0.10694858653595608,2.4513540559872,2.414213562373095
"1,2-BENZENEDIOL",24.959058752559777,0.06685253507561205,1.3146149432752,2.414213562373095
"1,3-BENZENEDIOL",28.055080808425053,0.07087768771105465,1.2946847955312002,2.414213562373095
p-HYDROQUINONE,29.047717667602317,0.07231414121087681,1.3057242779568,2.414213562373095
"1,2,3-BENZENETRIOL",25.044127586762876,0.061746287538823594,1.5906175043327997,2.414213562373095
INOSITOL,43.49654681589302,0.1047174094271369,2.51394512128,2.414213562373095
"1,6-HEXANEDIOL",39.826072621483796,0.12163980475557246,1.8909995506288002,2.414213562373095
HEXYLENE GLYCOL,30.80070254263365,0.1014967317950644,1.79862407712,2.414213562373095
DIPROPYLENE GLYCOL,38.26454860473926,0.1197296965731384,1.8346085325232,2.414213562373095
TRIMETHYLOLPROPANE,41.175441597633174,0.11884339947454516,2.1117793439087995,2.414213562373095
TRIETHYLENE GLYCOL,57.12196528922447,0.15190691801331954,1.3893797757552,2.414213562373095
SORBITOL,52.00554762114985,0.12260635587612696,2.4657982962288,2.414213562373095
TETRAETHYLENE GLYCOL,78.15661408858742,0.20117853611209655,1.5623385086208,2.414213562373095
TRIPROPYLENE GLYCOL,57.79189974664055,0.17468730227000168,1.8865148652911996,2.414213562373095
p-tert-BUTYLCATECHOL,51.157358045052156,0.1349054274385566,1.3679899274608,2.414213562373095
BISPHENOL A,78.79006614413535,0.18990955257393777,1.5915463801199998,2.414213562373095
FORMIC ACID,19.0592709064204,0.06633030477364511,0.8368237440432,2.414213562373095
ACETIC ACID,19.39636929151271,0.06705303732219098,1.03536369228,2.414213562373095
PROPIONIC ACID,25.040483991963395,0.08528813191098969,1.17158120652,2.414213562373095
n-BUTYRIC ACID,29.874854065571324,0.09929323827015697,1.2996232252848,2.414213562373095
n-PENTANOIC ACID,36.62962012452348,0.11727511363117034,1.3200975138048001,2.414213562373095
n-HEXANOIC ACID,42.059941433997885,0.1305871331671976,1.36581757152,2.414213562373095
n-HEPTANOIC ACID,48.2166571875733,0.14577871470629025,1.3887000685487998,2.414213562373095
n-OCTANOIC ACID,55.54887923928343,0.1637329900141805,1.4028204847488,2.414213562373095
n-NONANOIC ACID,64.34838946884621,0.18528250002226218,1.4048468769408002,2.414213562373095
n-DECANOIC ACID,74.22217454821893,0.21033878689387112,1.44235181088,2.414213562373095
n-UNDECANOIC ACID,82.5058689545113,0.23065177300786727,1.4826206251631997,2.414213562373095
n-DODECANOIC ACID,88.94537793978137,0.24797640561313983,1.6134021393792,2.414213562373095
n-TRIDECANOIC ACID,100.59991484084156,0.27302932976017114,1.5481546701167999,2.414213562373095
n-TETRADECANOIC ACID,110.25340220273777,0.29492636655776355,1.5813046965888,2.414213562373095
PENTADECANOIC ACID,120.2272991642563,0.3174566465660527,1.6050171799167998,2.414213562373095
n-HEXADECANOIC ACID,130.6998025871561,0.3407126909845614,1.6295573496431999,2.414213562373095
n-HEPTADECANOIC ACID,140.8433520536607,0.36345127867906357,1.6747374095727998,2.414213562373095
STEARIC ACID,150.3438417849447,0.38505423131341476,1.7255420325808,2.414213562373095
NONADECANOIC ACID,162.4406511390107,0.4093753872839086,1.7088674547071998,2.414213562373095
n-EICOSANIC ACID,174.09455366161052,0.43393538273321547,1.7318608550512,2.414213562373095
PERACETIC ACID,15.248415796821439,0.05652865911332012,1.3821195461232,2.414213562373095
ACRYLIC ACID,21.40220993527659,0.07121419013301897,1.1266246790512,2.414213562373095
cis-CROTONIC ACID,28.52596335549376,0.09022337630374604,1.1688692318832,2.414213562373095
trans-CROTONIC ACID,30.22596791303911,0.09287290358314505,1.1670186602111998,2.414213562373095
METHACRYLIC ACID,29.302383475055095,0.09057909848070463,0.8566460404992,2.414213562373095
ISOBUTYRIC ACID,31.683771348816656,0.10716785335228554,1.2198288796799999,2.414213562373095
CITRACONIC ACID,51.91160181770898,0.128142424034407,1.5722607507888,2.414213562373095
ITACONIC ACID,50.91452343618959,0.1269058264562704,1.5699673033072001,2.414213562373095
2-METHYLBUTYRIC ACID,34.040963252022145,0.1083362761772787,1.1898798981888,2.414213562373095
ISOVALERIC ACID,33.09469710878443,0.10681990528210686,1.2606839923200002,2.414213562373095
NEOPENTANOIC ACID,32.88622709445589,0.10648293397206865,1.0945317283072,2.414213562373095
2-ETHYL BUTYRIC ACID,40.29537753946017,0.12589166138063718,1.2422563454208,2.414213562373095
CINNAMIC ACID,57.4698882279471,0.14755878372856793,1.3360105822128001,2.414213562373095
LINOLENIC ACID,135.314185004998,0.35500278425511733,1.8249937075199998,2.414213562373095
LINOLEIC ACID,136.42636397691658,0.3602298006556868,1.8187607141808,2.414213562373095
OLEIC ACID,140.54667924376258,0.36825833959874377,1.8206604329472,2.414213562373095
ABIETIC ACID,131.968854176787,0.32458702499935527,1.7716138743552,2.414213562373095
OXALIC ACID,29.49178104148038,0.07506335782162528,1.5625478999808,2.414213562373095
MALONIC ACID,36.799530117292925,0.0935469061366764,1.5877248721792,2.414213562373095
FUMARIC ACID,38.22992004263913,0.1014686885754987,1.6354164730799998,2.414213562373095
MALEIC ACID,38.35204514145133,0.10152945845149679,1.6445726372608,2.414213562373095
SUCCINIC ACID,44.17493413735386,0.1121563596541072,1.6391447020671999,2.414213562373095
GLUTARIC ACID,51.628364598511226,0.13091755003369177,1.6053245864368,2.414213562373095
ADIPIC ACID,59.381771292016055,0.15020613182464648,1.6971088673391999,2.414213562373095
PIMELIC ACID,66.09879135786113,0.16802761913516673,1.7594407059711998,2.414213562373095
"1,4-CYCLOHEXANEDICARBOXYLIC ACID",74.01171402964901,0.17036553322827844,1.6829138900351999,2.414213562373095
SUBERIC ACID,74.33229665736967,0.18802347096787878,1.7885953423727998,2.414213562373095
AZELAIC ACID,82.28709401888013,0.20763181817022403,1.81141092672,2.414213562373095
SEBACIC ACID,90.52480731115051,0.22729665059276774,1.8414002135471998,2.414213562373095
BENZOIC ACID,40.41130822895344,0.11011487972708656,1.2062340806271998,2.414213562373095
ISOPHTHALIC ACID,82.2229402322193,0.16708850297080727,1.7074140703152,2.414213562373095
PHTHALIC ACID,51.89362816650907,0.13274161109895316,1.7046978362799998,2.414213562373095
TEREPHTHALIC ACID,100.44409042218483,0.1846767664414186,1.7052802427247997,2.414213562373095
o-TOLUIC ACID,46.79734512456441,0.12751589235228833,1.2716316281471998,2.414213562373095
p-TOLUIC ACID,49.57929300645894,0.13125137788058439,1.2761401436800002,2.414213562373095
PYROMELLITIC ACID,81.34009501104894,0.1863958557611228,2.2930961445808,2.414213562373095
IBUPROFEN,82.98850542469336,0.21856466934064858,1.4615344818048,2.414213562373095
MALEIC ANHYDRIDE,22.869947393804207,0.06491019841478232,1.1366207171952,2.414213562373095
SUCCINIC ANHYDRIDE,31.300563540906452,0.07897949241298871,1.1189794841471998,2.414213562373095
ACETIC ANHYDRIDE,29.40427164700023,0.09929350421242489,1.01854255548,2.414213562373095
GLUTARIC ANHYDRIDE,38.77774563189532,0.09469380649139336,1.1252475219071998,2.414213562373095
PROPIONIC ANHYDRIDE,38.015397155661645,0.12486896762162694,1.1535346903408001,2.414213562373095
PHTHALIC ANHYDRIDE,42.455585287864224,0.10983515940222717,1.324870443,2.414213562373095
BUTYRIC ANHYDRIDE,50.31413107076589,0.15987742512008232,1.2684234721199998,2.414213562373095
TRIMELLITIC,62.1800180335216,0.1429696561822858,1.6439703107199999,2.414213562373095
METHYL FORMATE,12.670453085888079,0.05321914601556242,0.7512074153088,2.414213562373095
VINYL FORMATE,15.822566808271215,0.06501755460510618,0.7921210047407999,2.414213562373095
ETHYL FORMATE,17.464662034900428,0.07029714378551725,0.7918433020272,2.414213562373095
n-PROPYL FORMATE,23.060455526673934,0.08771394456391857,0.8251510077952,2.414213562373095
n-BUTYL FORMATE,28.512973786610573,0.10437914682161327,0.9321354723072001,2.414213562373095
sec-BUTYL FORMATE,26.670206800424694,0.09995782007482196,0.8798768257968,2.414213562373095
tert-BUTYL FORMATE,25.7982156772252,0.09831016369996226,0.8052870105087999,2.414213562373095
ISOBUTYL FORMATE,25.087957392041716,0.09311528144298808,0.9345338358528,2.414213562373095
n-PENTYL FORMATE,34.00367331321643,0.12080541105472432,1.0979464217200001,2.414213562373095
CYCLOHEXYL FORMATE,37.85288058918574,0.12009426149354008,0.9055036713328,2.414213562373095
n-HEXYL FORMATE,42.14469822765256,0.14208142138581945,1.05658221312,2.414213562373095
n-HEPTYL FORMATE,49.72890781442826,0.16204376045134575,1.1208613125552,2.414213562373095
n-OCTYL FORMATE,57.18673936370135,0.18143399192370438,1.1870630902128,2.414213562373095
n-NONYL FORMATE,64.40551902947071,0.20091033640557773,1.2635443024128001,2.414213562373095
n-DECYL FORMATE,72.6785714301772,0.2213197367309171,1.3356632059391997,2.414213562373095
METHYL ACETATE,17.30117583646462,0.06989342713453991,0.8559644024752,2.414213562373095
VINYL ACETATE,21.807561101559877,0.08596348361670217,0.8831246546352,2.414213562373095
ETHYL ACETATE,22.604317424183378,0.08839418548392355,0.9034875847168,2.414213562373095
ALLYL ACETATE,27.195625566286978,0.09955665147849624,0.9322687606128,2.414213562373095
ISOPROPYL ACETATE,27.551820194218468,0.10597945919118805,0.9053693033472,2.414213562373095
n-PROPYL ACETATE,28.80584218386636,0.1072294737842606,0.9336013467568,2.414213562373095
ETHYLENE GLYCOL DIACETATE,44.197001202498235,0.13850410895003568,1.15303864572,2.414213562373095
ETHYLIDENE DIACETATE,40.0993044214723,0.13087368595993729,1.1115658410351998,2.414213562373095
n-BUTYL ACETATE,34.542367593556456,0.1220517685010114,0.9617251378607999,2.414213562373095
sec-BUTYL ACETATE,31.79793247613327,0.11598960174560273,0.9422499980928001,2.414213562373095
tert-BUTYL ACETATE,30.01001170472732,0.1126815204123948,0.8672621190528,2.414213562373095
ISOBUTYL ACETATE,33.46425437077388,0.12211139244781571,0.99313978848,2.414213562373095
ISOPENTYL ACETATE,40.46274674525364,0.1382329493139616,0.96687243168,2.414213562373095
n-PENTYL ACETATE,40.90420292903893,0.13997477757614504,1.0650284694528,2.414213562373095
CYCLOHEXYL ACETATE,43.104383028102646,0.13612235784070853,0.9759590678448,2.414213562373095
n-HEXYL ACETATE,48.15779389660255,0.1594634457944772,1.1282513862528,2.414213562373095
GLYCERYL TRIACETATE,68.7160027720657,0.19974148076208578,1.4784848475568002,2.414213562373095
n-HEPTYL,55.77695101224621,0.17918364783782903,1.1970925642672001,2.414213562373095
2-ETHYLHEXYL,60.26604308169251,0.19299890958136695,1.2397335649199999,2.414213562373095
n-OCTYL,63.32564153914929,0.19875361580463027,1.2647351805568,2.414213562373095
n-NONYL,70.31868734907448,0.2176969434213336,1.3404064763247998,2.414213562373095
n-DECYL,79.15293066285656,0.23890230571913934,1.3797324652032,2.414213562373095
METHYL PROPIONATE,22.520126935625164,0.08685336000716933,0.8767614053248001,2.414213562373095
VINYL PROPIONATE,25.94542103782057,0.09724138051388004,0.9219897653632,2.414213562373095
ETHYL PROPIONATE,28.39999236505742,0.10644091919480439,0.9409209209088,2.414213562373095
beta-PROPIOLACTONE,21.81215870225899,0.06506651839317476,0.8917703296432,2.414213562373095
gamma-BUTYROLACTONE,29.446260981374827,0.08153963334831663,0.90698136288,2.414213562373095
gamma-VALEROLACTONE,34.974392126155266,0.0984461643476942,0.95233334272,2.414213562373095
epsilon-CAPROLACTONE,41.119648543071904,0.10913851788592156,1.0013692828271998,2.414213562373095
DI(2-ETHYLHEXYL)ADIPATE,204.17533518672496,0.49445822332668765,1.7059594712832,2.414213562373095
DIISOPROPYL ETHER,27.80777672497404,0.11379832556584979,0.8660388631152,2.414213562373095
DI-n-PROPYL ETHER,29.778655333561904,0.11484732211361609,0.9067127402752,2.414213562373095
METHYL-n-PENTYL ETHER,31.350852689429907,0.1185864663314385,0.9332016275968,2.414213562373095
DI-n-BUTYL ETHER,43.948967569519354,0.154794519575251,1.03536369228,2.414213562373095
DI-sec-BUTYL ETHER,39.55776863078124,0.14481148724608534,0.9903918623088,2.414213562373095
DI-tert-BUTYL ETHER,38.29424832489439,0.14247999639596948,0.8758126670448,2.414213562373095
DIISOBUTYL ETHER,41.28817189707946,0.1503392482792812,0.9804270881392001,2.414213562373095
ETHYL-n-HEXYL ETHER,44.25206299968409,0.15532737506432245,1.0711564313088,2.414213562373095
DI-n-PENTYL ETHER,59.286255370526455,0.19505032192288294,1.2042864385152001,2.414213562373095
DI-n-HEXYL ETHER,76.35727164082634,0.23746933942138473,1.3341573473200001,2.414213562373095
DI-n-OCTYL ETHER,111.17136762091263,0.3217781647030359,1.5792292455168002,2.414213562373095
DINONYL ETHER,133.45605777772687,0.3710594643361536,1.6490838916528001,2.414213562373095
METHYLAL,18.72843959545897,0.07974452286769611,0.7930927941888001,2.414213562373095
"1,2-DIMETHOXYETHANE",23.785844607005647,0.09078525185818073,0.8762193015552,2.414213562373095
ETHYLAL,26.81117070391138,0.10470502541420317,0.9875105290671999,2.414213562373095
PARALDEHYDE,30.67742953261497,0.1084235041596974,0.9967999867392,2.414213562373095
ACETAL,31.456385991580657,0.11898565232826994,1.0104880358832,2.414213562373095
"1,2-DIETHOXYETHANE",34.4018507284929,0.12548793756652424,1.0550440036992,2.414213562373095
DIETHYLENE GLYCOL DIMETHYL ETHER,41.396835244680695,0.13933062890092726,1.1752751430000001,2.414213562373095
ANISOLE,31.409897436915344,0.09956026234871938,0.8816364524032,2.414213562373095
PHENETOLE,39.21993333998979,0.12401805942483733,0.9720115145328,2.414213562373095
DIETHYLENE GLYCOL DIETHYL ETHER,52.619689023781966,0.1725626188912776,1.2993882778992003,2.414213562373095
TRIETHYLENE GLYCOL DIMETHYL ETHER,58.75902047311671,0.18470412496607647,1.42624140028,2.414213562373095
BENZYL ETHYL ETHER,45.1321433681867,0.13951182033612974,0.9920932401791999,2.414213562373095
ANETHOLE,57.72994058023995,0.16339766609374082,1.0586319497728,2.414213562373095
TETRAETHYLENE GLYCOL DIMETHYL ETHER,82.05584062269345,0.23817897269381957,1.6117689000831998,2.414213562373095
DIPHENYL ETHER,61.1424454136276,0.1631712858872081,0.9995423579567999,2.414213562373095
DIETHYLENE GLYCOL DI-n-BUTYL ETHER,84.1448085304464,0.25322200873056516,1.4856630521199998,2.414213562373095
DIBENZYL ETHER,75.53218611679493,0.1989271550163552,1.1915930787712001,2.414213562373095
ETHYLENE OXIDE,9.804357846731818,0.042765196231670674,0.6685642161408,2.414213562373095
"1,2-PROPYLENE OXIDE",15.13916580240161,0.06424106687071751,0.7689981964911999,2.414213562373095
"1,3-PROPYLENE OXIDE",15.061403611217088,0.05927139364481248,0.67301227852,2.414213562373095
TRIOXANE,20.075960220707774,0.06801777538310591,0.8592350341552,2.414213562373095
FURAN,13.990057310891423,0.058408159632614566,0.67444603068,2.414213562373095
"2,5-DIHYDROFURAN",17.106456317795605,0.06458680510226888,0.7139463818112001,2.414213562373095
"1,2-EPOXYBUTANE",20.18516075553483,0.07852889819616045,0.7218816776832,2.414213562373095
"1,2-EPOXY-2-METHYLPROPANE",18.655715643114164,0.07327523601003799,0.6303287318448,2.414213562373095
TETRAHYDROFURAN,18.004871549626074,0.06821167005934786,0.7085520752128001,2.414213562373095
"1,3-DIOXANE",21.64805417464849,0.07508443034773815,0.7979477736048,2.414213562373095
"1,4-DIOXANE",21.189582656856327,0.07386987048519401,0.7843371663791999,2.414213562373095
2-METHYLBENZOFURAN,42.86822259133459,0.1256791081650986,0.9139579712512,2.414213562373095
DIBENZOFURAN,70.2506589741653,0.17159043773744442,0.7787669169072,2.414213562373095
t-BUTYL HYDROPEROXIDE,22.486358026116744,0.08336103136847774,1.2776807410032,2.414213562373095
CYCLOHEXYL PEROXIDE,35.69684938981229,0.1066405438291922,1.3875667913328,2.414213562373095
ETHYLBENZENE HYDROPEROXIDE,45.901433311502835,0.1274505737411691,1.4500886275200002,2.414213562373095
DI-t-BUTYL PEROXIDE,38.640570311403025,0.1445570367570456,0.9524658104688,2.414213562373095
CUMENE HYDROPEROXIDE,35.09888646583712,0.11871921041810693,1.6419611520000001,2.414213562373095
p-MENTHANE HYDROPEROXIDE,54.884112183487616,0.15796471140643328,1.5447781505392,2.414213562373095
m-DIISOPROPYLBENZENE HYDROPEROXIDE,85.84370846500978,0.2163393285630014,1.6091119387007997,2.414213562373095
p-DIISOPROPYLBENZENE HYDROPEROXIDE,84.39243218196421,0.21320702992141577,1.5733023631727998,2.414213562373095
BENZOYL PEROXIDE,97.38590513538138,0.22543787175307095,1.5583559699968,2.414213562373095
DICUMYL PEROXIDE,114.80809192906406,0.2657683559909315,1.0136083761072001,2.414213562373095
CARBON TETRACHLORIDE,21.739742130544006,0.07996304646643931,0.6616666583808,2.414213562373095
CHLOROFORM,16.840730631196887,0.06424734657021636,0.7035767384688,2.414213562373095
DICHLOROMETHANE,13.70131438793089,0.05497624729168299,0.6702866621568,2.414213562373095
METHYL CHLORIDE,8.30732280349321,0.0408403895343281,0.6044331864688001,2.414213562373095
TETRACHLOROETHYLENE,27.419627195310028,0.09050089871459008,0.6920370260352,2.414213562373095
HEXACHLOROETHANE,46.31825595290204,0.13637991940592445,0.7272567011968,2.414213562373095
TRICHLOROETHYLENE,21.26748085208057,0.0762189528752644,0.6960300680447999,2.414213562373095
PENTACHLOROETHANE,38.48741368611615,0.11843501472844364,0.73699668412,2.414213562373095
"1,1-DICHLOROETHYLENE",14.336902870541792,0.060868323555689476,0.7743044983728,2.414213562373095
"cis-1,2-DICHLOROETHYLENE",17.13888232525568,0.06655105085860655,0.7625643487152,2.414213562373095
"trans-1,2-DICHLOROETHYLENE",15.506677487517704,0.06143720704351654,0.7057098354048,2.414213562373095
"1,1,1,2-TETRACHLOROETHANE",31.02219403806675,0.10173513272841113,0.7323416380672,2.414213562373095
"1,1,2,2-TETRACHLOROETHANE",32.57795297084882,0.10335871780714932,0.7386879705712,2.414213562373095
VINYL CHLORIDE,10.541608139303072,0.049935126820601944,0.5263156249008,2.414213562373095
"1,1,1-TRICHLOROETHANE",22.12317300962331,0.08306803728030943,0.6984523500912,2.414213562373095
"1,1,2-TRICHLOROETHANE",25.908513446921212,0.08807021157702412,0.7561190779247999,2.414213562373095
"1,1-DICHLOROETHANE",17.279112566819506,0.06760873043750291,0.7206075040368,2.414213562373095
"1,2-DICHLOROETHANE",18.81066014331995,0.06854250519416363,0.7944806059648,2.414213562373095
ETHYL CHLORIDE,12.879245173274445,0.057251292921096986,0.6587890050688001,2.414213562373095
PROPARGYL CHLORIDE,17.686587110948576,0.06690056847027011,0.6026812651888,2.414213562373095
"2,3-DICHLOROPROPENE",24.344779750959283,0.08634020438893728,0.6810343374768,2.414213562373095
2-CHLOROPROPENE,15.536801611116319,0.06651456565094695,0.603557323,2.414213562373095
3-CHLOROPROPENE,17.975687412847098,0.07154490361806354,0.5966896687872,2.414213562373095
"1,2,3-TRICHLOROPROPANE",35.18109618838584,0.11041925364608184,0.8217104272751999,2.414213562373095
"1,1-DICHLOROPROPANE",23.688165185187625,0.08656183046956324,0.7474138999727999,2.414213562373095
"1,2-DICHLOROPROPANE",24.714249483260293,0.08841672683676817,0.7523306640768,2.414213562373095
"1,3-DICHLOROPROPANE",28.061818137074546,0.09523169830427966,0.8025192686208,2.414213562373095
ISOPROPYL CHLORIDE,16.869059236448354,0.07059355287949912,0.6702866621568,2.414213562373095
n-PROPYL CHLORIDE,17.703381594612466,0.07200154065577856,0.7118179814832,2.414213562373095
"HEXACHLORO-1,3-BUTADIENE",61.42065445280789,0.17031037828665055,0.6267020414848,2.414213562373095
CHLOROPRENE,20.72212211273617,0.08077146517767547,0.6685642161408,2.414213562373095
"1,3-DICHLORO-trans-2-BUTENE",32.35993077253077,0.10715245963587504,0.7317769905792,2.414213562373095
"1,4-DICHLORO-cis-2-BUTENE",34.7048827631377,0.11096694849022656,0.8550098825088,2.414213562373095
"1,4-DICHLORO-trans-2-BUTENE",35.35864954878313,0.11200726363232245,0.8586901448112,2.414213562373095
"3,4-DICHLORO-1-BUTENE",28.859619463772418,0.10026707394011761,0.8133012508032,2.414213562373095
"1,2-DICHLOROBUTANE",31.331265593310683,0.1068586599053627,0.8113684417152001,2.414213562373095
"1,4-DICHLOROBUTANE",36.4530553459298,0.11637479828107754,0.8433981751728,2.414213562373095
"2,3-DICHLOROBUTANE",30.7260797193984,0.10496955748478853,0.7648035044272,2.414213562373095
n-BUTYL CHLORIDE,24.17778663946209,0.09213513803307868,0.77695472608,2.414213562373095
sec-BUTYL CHLORIDE,22.25715939526441,0.08748802406404059,0.8004420451247999,2.414213562373095
tert-BUTYL CHLORIDE,21.109469884527428,0.08520251287066571,0.6642547001088001,2.414213562373095
HEXACHLOROCYCLOPENTADIENE,59.21650859419549,0.16243776527473347,0.9075185433088,2.414213562373095
"1,5-DICHLOROPENTANE",44.13267652519678,0.13621651794170406,0.9285346474608,2.414213562373095
1-CHLOROPENTANE,30.844438556816073,0.11112494767660905,0.8595074464368,2.414213562373095
HEXACHLOROBENZENE,76.48808776103563,0.18972427009693332,1.0745979439728,2.414213562373095
"1,2,4-TRICHLOROBENZENE",45.25365161683242,0.1277316900047021,0.8923099501488001,2.414213562373095
"1,3,5-TRICHLOROBENZENE",44.384006651350134,0.12649841851500152,0.8943327577728,2.414213562373095
m-DICHLOROBENZENE,36.81101724188435,0.11013782628306557,0.78391969728,2.414213562373095
o-DICHLOROBENZENE,39.11175872739716,0.11352754957169563,0.6997341030912,2.414213562373095
p-DICHLOROBENZENE,36.89718154214319,0.11026665187123204,0.7917044425727999,2.414213562373095
MONOCHLOROBENZENE,28.33932531671661,0.09170964651559038,0.7431942673008,2.414213562373095
BENZOTRICHLORIDE,52.085587221534816,0.14462158360023933,0.7572408151407999,2.414213562373095
BENZYL DICHLORIDE,46.888268508964,0.1312592305894473,0.8492772077568,2.414213562373095
"2,4-DICHLOROTOLUENE",44.34086321475795,0.12870578338731253,0.8935237804799999,2.414213562373095
BENZYL CHLORIDE,38.54730557566286,0.11498811289074466,0.8317474643967999,2.414213562373095
o-CHLOROTOLUENE,35.249541628506094,0.10995947821622229,0.8190933295488,2.414213562373095
p-CHLOROTOLUENE,35.68072467415521,0.11062996283949195,0.8299621522032,2.414213562373095
1-CHLORONAPHTHALENE,58.04855186876434,0.15132293946484635,0.9253306104432,2.414213562373095
TRIBROMOMETHANE,25.47560009863388,0.07490282869957618,0.6088095886768,2.414213562373095
DIBROMOMETHANE,16.675990569388656,0.05585132316360599,0.6857536946688,2.414213562373095
METHYL BROMIDE,8.731099618804574,0.03825913074851685,0.6610913004672,2.414213562373095
"1,1,2,2-TETRABROMOETHANE",47.27450851579492,0.11740398722927453,0.5949343141247999,2.414213562373095
VINYL BROMIDE,9.979857133252475,0.043176379190378734,0.7804388986799999,2.414213562373095
"1,1-DIBROMOETHANE",20.94745947962709,0.06825818734342114,0.563205,2.414213562373095
"1,2-DIBROMOETHANE",24.718189111294283,0.07780116844785764,0.6818928396912,2.414213562373095
BROMOETHANE,13.048376172705826,0.05300066773180519,0.7500838210431999,2.414213562373095
1-BROMOPROPANE,17.58475434667293,0.06614856722097816,0.7919821560832,2.414213562373095
2-BROMOPROPANE,16.45134338083219,0.06328091800029195,0.7337528788991999,2.414213562373095
1-BROMOBUTANE,23.4868498481167,0.08329750513593251,0.8440822964607999,2.414213562373095
2-BROMOBUTANE,22.23856478685629,0.08026140031299288,0.7691379358848001,2.414213562373095
m-DIBROMOBENZENE,39.802081111386705,0.10702966334671575,0.8036266244992001,2.414213562373095
BROMOBENZENE,31.828670970317514,0.09719177609302268,0.7441792828288,2.414213562373095
p-BROMOTOLUENE,35.80917227529356,0.10483351374956157,0.8376462281328001,2.414213562373095
1-BROMOHEPTANE,44.06974861815689,0.13852961282286447,1.00554113788,2.414213562373095
1-BROMONAPHTHALENE,58.77336339139166,0.145960844896336,0.9072499638911999,2.414213562373095
DIIODOMETHANE,32.672127672227944,0.08950346555585942,0.5859992417200001,2.414213562373095
METHYL IODIDE,12.11512084866674,0.046954461460769405,0.6682770662272,2.414213562373095
ETHYL,16.827618409523986,0.06138225367679655,0.6928930341888,2.414213562373095
ISOPROPYL,20.898528037118737,0.073989636807885,0.7264085315200001,2.414213562373095
n-PROPYL,22.390790993897433,0.07726766326155274,0.7542955180672001,2.414213562373095
IODOBENZENE,36.857483225963485,0.10458830012606625,0.7385470597248,2.414213562373095
CARBON TETRAFLUORIDE,4.432168983578958,0.039867402884456414,0.6422005934448001,2.414213562373095
TRIFLUOROMETHANE,5.905809448308287,0.040379017657819316,0.76298429568,2.414213562373095
DIFLUOROMETHANE,6.791290226401971,0.03952632705506414,0.7751416229232,2.414213562373095
METHYL FLUORIDE,5.4925903872508774,0.03541000278721443,0.66942553632,2.414213562373095
TETRAFLUOROETHYLENE,7.626251212752455,0.050925408000058826,0.71011438668,2.414213562373095
HEXAFLUOROETHANE,9.214174650245265,0.06439741035437604,0.7420682113648,2.414213562373095
PENTAFLUOROETHANE,10.24971496458327,0.06183748016549239,0.8166121761408001,2.414213562373095
"1,1-DIFLUOROETHYLENE",6.584163722544937,0.04449669823796671,0.5796886772352,2.414213562373095
"1,1,1,2-TETRAFLUOROETHANE",11.040967704401798,0.06036293500815293,0.8496870003311999,2.414213562373095
"1,1,2,2-TETRAFLUOROETHANE",10.595930153554017,0.055342362018740265,0.76578270048,2.414213562373095
VINYL FLUORIDE,6.567660411936383,0.04100008674246415,0.5895170769328,2.414213562373095
"1,1,1-TRIFLUOROETHANE",10.217203662557628,0.060384476293109904,0.7524710458799999,2.414213562373095
"1,1-DIFLUOROETHANE",10.582065619577923,0.056036553012162225,0.7551372744447999,2.414213562373095
"1,2-DIFLUOROETHANE",14.613726922264782,0.06720228072277643,0.7042879057408,2.414213562373095
ETHYL FLUORIDE,8.972538438786207,0.04892245327378304,0.7008730719999999,2.414213562373095
HEXAFLUOROPROPYLENE,14.956161745643373,0.08316783004494692,0.6788872316928,2.414213562373095
OCTAFLUOROPROPANE,14.228126136706434,0.08438178549615277,0.8496870003311999,2.414213562373095
OCTAFLUORO-2-BUTENE,21.122632335998563,0.11026686020789477,0.8022423756671999,2.414213562373095
OCTAFLUOROCYCLOBUTANE,17.392417281723773,0.09164257998257948,0.8892059526912,2.414213562373095
DECAFLUOROBUTANE,20.579881259177135,0.10900463972185097,0.91033732348,2.414213562373095
HEXAFLUOROBENZENE,26.129683530992,0.10347930645074949,0.9421171146672,2.414213562373095
FLUOROBENZENE,22.079127223522377,0.08066908278289266,0.7393924438271999,2.414213562373095
BENZOTRIFLUORIDE,31.27843978281452,0.11431879812345831,0.8127491276032,2.414213562373095
BROMOCHLORODIFLUOROMETHANE,13.673883356575434,0.06566174404431424,0.6536037875199999,2.414213562373095
BROMOTRICHLOROMETHANE,23.66549300323401,0.0799145701487033,0.6608035891199999,2.414213562373095
BROMOTRIFLUOROMETHANE,9.33414953413011,0.056154855561170836,0.6296036636928,2.414213562373095
DIBROMODIFLUOROMETHANE,17.979801983945702,0.07697328892946172,0.5387976442799999,2.414213562373095
CHLOROTRIFLUOROMETHANE,7.547933439265551,0.051145114418890664,0.6314885601712,2.414213562373095
DICHLORODIFLUOROMETHANE,11.50551855770583,0.06116245497208572,0.6430678410672,2.414213562373095
TRICHLOROFLUOROMETHANE,16.132092103934685,0.07005972799747423,0.6570613765887999,2.414213562373095
CHLORODIFLUOROMETHANE,8.786995237241605,0.048690487083832355,0.6997341030912,2.414213562373095
DICHLOROFLUOROMETHANE,12.598858684329635,0.05709256318405173,0.6791735826431999,2.414213562373095
BROMOCHLOROMETHANE,14.591242534250762,0.0536068288396469,0.7014424268928,2.414213562373095
BROMOTRIFLUOROETHYLENE,13.341879266007615,0.0631998860486286,0.6368482720127999,2.414213562373095
"1,2-DIBROMOTETRAFLUOROETHANE",22.461028485422965,0.09422602672700926,0.7438978768128,2.414213562373095
CHLOROTRIFLUOROETHYLENE,11.359819973719178,0.06131170935584801,0.7631242672048,2.414213562373095
CHLOROPENTAFLUOROETHANE,12.652376488395177,0.07331552209475012,0.7453046909568001,2.414213562373095
"1,1-DICHLOROTETRAFLUOROETHANE",17.00250545010809,0.08312824508223847,0.7479761505712,2.414213562373095
"1,2-DICHLOROTETRAFLUOROETHANE",17.235397406907314,0.08420653899648455,0.7461485203199999,2.414213562373095
"1,1,2-TRICHLOROTRIFLUOROETHANE",22.298534674082358,0.09364994199651216,0.74544534268,2.414213562373095
"1,1,1,2-TETRACHLORODIFLUOROETHANE",29.218690258005413,0.10831901512528101,0.7519094862768,2.414213562373095
"1,1,2,2-TETRACHLORODIFLUOROETHANE",29.11292133027693,0.10812278502541638,0.7830846133248,2.414213562373095
HALOTHANE,22.177863833909676,0.08710940055671562,0.5120038177199999,2.414213562373095
"2-CHLORO-1,1-DIFLUOROETHYLENE",11.52577441525631,0.05888387944921037,0.6995917076848001,2.414213562373095
"2-CHLORO-1,1,1,2-TETRAFLUOROETHANE",14.162699803369081,0.07325173498394966,0.77625748668,2.414213562373095
"1,1-DICHLORO-2,2,2-TRIFLUOROETHANE",18.237069174690628,0.08168737601477666,0.7887871470000001,2.414213562373095
"1,2-DICHLORO-1,1,2-TRIFLUOROETHANE",18.903815772668093,0.08380437891816754,0.73064743648,2.414213562373095
"1,1,1-TRICHLOROFLUOROETHANE",25.62433247022551,0.0928083707079723,0.7434757273007999,2.414213562373095
"1-CHLORO-1,1-DIFLUOROETHANE",13.067912636697452,0.06519189452358706,0.7247116091392001,2.414213562373095
"1,1-DICHLORO-1-FLUOROETHANE",16.58258992851049,0.07109580280417574,0.7337528788991999,2.414213562373095
"2,4-DICHLOROBENZOTRIFLUORIDE",47.56390509742557,0.15067042790420873,0.9936629330687998,2.414213562373095
p-CHLOROBENZOTRIFLUORIDE,38.43386734744734,0.13086474119318342,0.9119469861231999,2.414213562373095
METHYLAMINE,7.940133685341102,0.03778260503136859,0.7872580896768,2.414213562373095
ETHYLAMINE,11.857842037204493,0.053196249859108535,0.7919821560832,2.414213562373095
n-PROPYLAMINE,16.686854992449582,0.06871393706572146,0.7850328402432001,2.414213562373095
n-BUTYLAMINE,21.574179505148507,0.08300176610117228,0.8531000490112,2.414213562373095
n-PENTYLAMINE,27.556690850879576,0.10160547644968167,0.95762784192,2.414213562373095
n-HEXYLAMINE,34.34999820296093,0.12036408184404342,1.0239870528432,2.414213562373095
n-HEPTYLAMINE,41.40600102474316,0.13959106902889518,1.0880710144432,2.414213562373095
n-OCTYLAMINE,48.80168655370558,0.1592759947458075,1.1652903641088002,2.414213562373095
n-NONYLAMINE,56.98639655666724,0.1799613431209951,1.2235797602928,2.414213562373095
n-DECYLAMINE,64.57955171009854,0.19932626699319866,1.2825335719167998,2.414213562373095
UNDECYLAMINE,73.74626742004341,0.22127823822299322,1.3269630087792001,2.414213562373095
n-DODECYLAMINE,82.52589567361706,0.24264091927127987,1.3951494404351998,2.414213562373095
n-TETRADECYLAMINE,100.57505609223001,0.28505989553116756,1.5023207472048,2.414213562373095
DIMETHYLAMINE,11.46416767588166,0.05365935054114879,0.8128871665008,2.414213562373095
ISOPROPYLAMINE,15.706559497906342,0.06811772582043285,0.7796030049648,2.414213562373095
TRIMETHYLAMINE,14.7708760571206,0.06976710759140017,0.6811774346752,2.414213562373095
sec-BUTYLAMINE,21.178647724654596,0.08426839804694738,0.78739712188,2.414213562373095
tert-BUTYLAMINE,19.5300912456649,0.0825908024996428,0.7780700284031999,2.414213562373095
DIETHYLAMINE,21.289414199515715,0.08772836431683209,0.8184042957168001,2.414213562373095
ISOBUTYLAMINE,20.0537817577107,0.07988116541295931,0.8985093778032001,2.414213562373095
DIISOPROPYLAMINE,27.386663800928556,0.10713649794754977,0.9328018598512,2.414213562373095
DI-n-PROPYLAMINE,30.8551126665684,0.11480147891222568,1.0136083761072001,2.414213562373095
TRIETHYLAMINE,30.172421939250047,0.11537658450105547,0.8353153517952,2.414213562373095
DI-n-BUTYLAMINE,45.208208930955955,0.15359867664804822,1.1157147708928001,2.414213562373095
DIISOBUTYLAMINE,41.922537529358415,0.14791172581083842,1.0596562998527999,2.414213562373095
TRIPROPYLAMINE,47.89969182946101,0.16973201479059935,1.3212624796288,2.414213562373095
DIAMYLAMINE,61.68606694248084,0.19754646310732468,1.2946847955312002,2.414213562373095
TRI-n-BUTYLAMINE,73.79311483528315,0.2344838903182519,1.3153155098992002,2.414213562373095
TRIAMYLAMINE,93.00753069785026,0.2883747389903509,1.4933588049408,2.414213562373095
MELAMINE,56.52856941246723,0.11374441399746447,1.3156657203328,2.414213562373095
PYRIDINE,21.86397618343531,0.07216980253582424,0.7272567011968,2.414213562373095
ANILINE,29.470171183855587,0.08627570534871658,0.918377863,2.414213562373095
2-METHYLPYRIDINE,28.199241303520242,0.09292420611010407,0.7830846133248,2.414213562373095
3-METHYLPYRIDINE,30.42101167484009,0.09651547977619504,0.7722108367487999,2.414213562373095
4-METHYLPYRIDINE,28.689183295220392,0.0908589831953195,0.8159226564528,2.414213562373095
m-PHENYLENEDIAMINE,41.98048114547382,0.1042565227438649,1.1327513524992,2.414213562373095
o-PHENYLENEDIAMINE,37.71334518447539,0.09881595177543508,1.0700083858799998,2.414213562373095
p-PHENYLENEDIAMINE,39.175912759023205,0.10071382536907336,1.12750071168,2.414213562373095
PHENYLHYDRAZINE,37.77575451718573,0.10158077607368865,1.1226165898607998,2.414213562373095
BENZYLAMINE,34.635390624842955,0.10369662147030259,0.9598753885551999,2.414213562373095
"2,6-DIMETHYLPYRIDINE",32.96489911233539,0.10814942831371692,0.8816364524032,2.414213562373095
N-METHYLANILINE,30.325586742169513,0.0884572877796984,1.0526069156208,2.414213562373095
m-TOLUIDINE,38.770524588698606,0.11187849249367068,0.9655533955199999,2.414213562373095
o-TOLUIDINE,41.163685506066244,0.12135116758143044,1.0041076862208,2.414213562373095
p-TOLUIDINE,38.46977383445995,0.1135730898429741,1.04759836608,2.414213562373095
TOLUENEDIAMINE,47.26790140689485,0.12030766781404777,1.1776121231488,2.414213562373095
"N,N-DIMETHYLANILINE",41.68975996242683,0.12415404667709663,0.9525982728192,2.414213562373095
N-ETHYLANILINE,43.65521101354183,0.12788559562869392,0.9680591026607999,2.414213562373095
o-ETHYLANILINE,42.44229176119732,0.12336989727761459,1.0309731282288,2.414213562373095
"2,4,6-TRIMETHYLPYRIDINE",41.011159247569935,0.12852035011532897,0.9162356193648,2.414213562373095
ISOQUINOLINE,41.48470068633483,0.105699840764477,0.7971159610799999,2.414213562373095
QUINOLINE,42.04521389024952,0.11000427225576047,0.8524177091952,2.414213562373095
QUINALDINE,64.65351614284918,0.17115740390787876,0.764383768,2.414213562373095
"N,N-DIETHYLANILINE",55.38091548354731,0.16143810619157237,0.9829212049152001,2.414213562373095
"2,6-DIETHYLANILINE",47.187917257016686,0.14242431885185244,1.6000920679552002,2.414213562373095
DIBENZOPYRROLE,79.40057464573532,0.18073696683261217,1.0703911162752,2.414213562373095
p-AMINODIPHENYL,64.97871879988513,0.1627541694721817,1.1354978876928001,2.414213562373095
DIPHENYLAMINE,67.22721767245316,0.1683860528537388,1.1158404042672,2.414213562373095
"1,3-DIPHENYLTRIAZENE",80.92341897289558,0.1959749444479457,1.2303423941232,2.414213562373095
p-AMINODIPHENYLAMINE,75.4694882590643,0.17812929269299763,1.3149652508800003,2.414213562373095
BENZIDINE,83.76250525453207,0.1845087556597767,1.3631852700592,2.414213562373095
HYDRAZOBENZENE,65.01548457533461,0.16798660687355016,1.2985657920000002,2.414213562373095
ACRIDINE,72.06456845154764,0.1629507061452926,0.9987590662512,2.414213562373095
"N,N'-DIPHENYL-p-PHENYLENEDIAMINE",113.80699745652144,0.25705366700347976,1.5186365633968,2.414213562373095
ETHYLENEIMINE,13.482967817107285,0.05138001751149439,0.6732990721392,2.414213562373095
ETHYLENEDIAMINE,17.905563196015535,0.0617897343562028,1.0429678017408,2.414213562373095
ALLYLAMINE,15.798562547480758,0.06401905093344792,0.84941381068,2.414213562373095
PROPYLENEIMINE,16.536361075590488,0.06396866840388779,0.7526114222847999,2.414213562373095
"1,2-PROPANEDIAMINE",20.940657717836903,0.07300208307740617,1.0447694081152,2.414213562373095
PYRROLE,20.074001012689752,0.06421059332124465,0.8097109060608001,2.414213562373095
PYRROLIDINE,18.45455166564891,0.0664229058106791,0.7669014577792,2.414213562373095
PIPERAZINE,23.574420043104645,0.07561420222461322,0.9666086676351999,2.414213562373095
DIETHYLENE TRIAMINE,34.682353517542175,0.10498926624381877,1.3221940636032001,2.414213562373095
N-METHYLPYRROLE,24.984429402252147,0.08381517114710785,0.6906099139072,2.414213562373095
N-METHYLPYRROLIDINE,23.067455222414132,0.08582622928303206,0.7091202640512,2.414213562373095
PIPERIDINE,24.302034578350806,0.08371488211439936,0.7331884473471999,2.414213562373095
DIALLYLAMINE,29.82191141501332,0.10975990437349664,1.0117885555312,2.414213562373095
TRIETHYLENEDIAMINE,35.142155425457844,0.1097918570604049,1.0272233039232,2.414213562373095
HEXAMETHYLENETETRAMINE,46.25199755048506,0.12983327178501566,0.8120588521391999,2.414213562373095
CYCLOHEXYLAMINE,28.841944633049874,0.09596932910739041,0.8954110918528,2.414213562373095
HEXAMETHYLENEIMINE,29.205413275740593,0.09577712628415791,0.8751348348928001,2.414213562373095
N-AMINOETHYL PIPERAZINE,41.699085068036865,0.12052476799593084,1.1501847129472,2.414213562373095
HEXAMETHYLENEDIAMINE,42.40478855715969,0.13147827644019572,1.2452565514607998,2.414213562373095
TRIETHYLENE TETRAMINE,52.0861249863407,0.14845014982770546,1.6202263186799999,2.414213562373095
N-METHYLCYCLOHEXYLAMINE,35.503936520957176,0.11680707787432662,0.92906835132,2.414213562373095
INDOLE,46.48454599884154,0.12041054945219165,0.9167713098351999,2.414213562373095
TETRAETHYLENEPENTAMINE,75.83856234540309,0.20050821310996433,1.8689550970799997,2.414213562373095
p-AMINOAZOBENZENE,84.94223865241715,0.1982015949712458,1.24453680972,2.414213562373095
DICYCLOHEXYLAMINE,69.03486978622647,0.1916832030645231,1.0951643758512,2.414213562373095
DEHYDROABIETYLAMINE,140.31067726964983,0.33270778345013063,1.3698177682800003,2.414213562373095
CYANOGEN CHLORIDE,10.779276562347114,0.04912768609782826,0.8433981751728,2.414213562373095
HYDROGEN CYANIDE,12.390973561057804,0.055527101510036175,0.9614609527407999,2.414213562373095
ACETONITRILE,19.73203598231758,0.07402189167770183,0.8649511574127999,2.414213562373095
DICYANDIAMIDE,43.12945074451368,0.10407852072025198,1.4374751298048003,2.414213562373095
CYANOGEN,8.578333975742344,0.04386954851953425,0.78322380748,2.414213562373095
MALONONITRILE,40.52783296692033,0.11599262487495612,1.0898459419248,2.414213562373095
ACRYLONITRILE,20.462423873205104,0.07826837739818589,0.8810951260032,2.414213562373095
PROPIONITRILE,24.407752619769912,0.08849603718685746,0.8464072993392,2.414213562373095
SUCCINONITRILE,53.64202448383104,0.1425599290727695,1.1514259041792,2.414213562373095
cis-CROTONITRILE,26.630946323491315,0.09594476849774236,0.9199836387952001,2.414213562373095
trans-CROTONITRILE,28.345567731171972,0.0989852717247835,0.9453048269232,2.414213562373095
METHACRYLONITRILE,25.33433198342548,0.09357993265448813,0.8148191442352,2.414213562373095
VINYLACETONITRILE,28.152412806563234,0.09864743803289004,0.91971606348,2.414213562373095
"2,2'-IMINOBIS-ACETONITRILE",48.345767996634244,0.13533936123661622,1.3442176390912002,2.414213562373095
n-BUTYRONITRILE,28.65211672733442,0.10070018080816154,0.9102031498368,2.414213562373095
ISOBUTYRONITRILE,27.191844454364027,0.09848571795134564,0.8656310139648,2.414213562373095
GLUTARONITRILE,62.17703989384721,0.16270703279070395,1.2067207752192,2.414213562373095
VALERONITRILE,35.72225664947356,0.12122846607348736,0.9684545624831999,2.414213562373095
cis-DICYANO-1-BUTENE,51.83982617830683,0.15352125960878396,1.2890292152687999,2.414213562373095
trans-DICYANO-1-BUTENE,51.54017463143454,0.15307691442901902,1.2800491092592,2.414213562373095
"1,4-DICYANO-2-BUTENE",61.88727282821589,0.16774030536126178,1.2830065329792,2.414213562373095
"2,2',2""-NITRILOTRIS-ACETONITRILE",82.17087516885633,0.20431540508358348,1.56923702208,2.414213562373095
ADIPONITRILE,69.03040980543986,0.18087246339475715,1.2735309005951998,2.414213562373095
METHYLGLUTARONITRILE,61.22759700755696,0.16885982915680542,1.2488523450288,2.414213562373095
HEXANENITRILE,42.44202251230407,0.1396219864994933,1.0454125825391998,2.414213562373095
BENZONITRILE,37.16251926737875,0.10874107045621358,0.8846122036608,2.414213562373095
NITROMETHANE,17.55082256515813,0.06106500683207201,0.8782517453231999,2.414213562373095
TETRANITROMETHANE,53.67548278695521,0.20340669125277083,1.0979464217200001,2.414213562373095
NITROETHANE,21.826679362180787,0.07532098850525286,0.9057723911088,2.414213562373095
1-NITROPROPANE,26.949397744599217,0.09115420868398265,0.9644977779072,2.414213562373095
2-NITROPROPANE,25.394499348906823,0.08748553377685321,0.9165034753968,2.414213562373095
"1,3,5-TRINITROBENZENE",95.42330333132097,0.19429938266274033,1.4447862321791998,2.414213562373095
m-DINITROBENZENE,53.907820232880454,0.137037342142266,1.3005627988912,2.414213562373095
o-DINITROBENZENE,57.44629952214522,0.14146339294437646,1.3072472603008,2.414213562373095
p-DINITROBENZENE,53.64028803910869,0.13669687669594982,1.3057242779568,2.414213562373095
NITROBENZENE,37.62939823763678,0.10709801428075082,1.0129585616512,2.414213562373095
"2,4,6-TRINITROTOLUENE",66.5876012505294,0.1713993920925705,0.37464,2.414213562373095
TETRYL,55.57896421920624,0.16899677635688692,1.9012076545152001,2.414213562373095
"2,4-DINITROTOLUENE",62.416711873156345,0.15691321366163682,1.3429479047088,2.414213562373095
"2,5-DINITROTOLUENE",62.416711873156345,0.15691321366163682,1.3682184831407997,2.414213562373095
"2,6-DINITROTOLUENE",55.85133093105662,0.14843141832857537,1.3655887891072,2.414213562373095
"3,4-DINITROTOLUENE",66.78458927678464,0.16231071978267594,1.3647878806128,2.414213562373095
"3,5-DINITROTOLUENE",62.416711873156345,0.15691321366163682,1.3246378277231998,2.414213562373095
m-NITROTOLUENE,45.408319495375146,0.1265967059133716,1.0659229052272001,2.414213562373095
o-NITROTOLUENE,43.69264161587523,0.12418205484690402,1.0591441679999998,2.414213562373095
p-NITROTOLUENE,45.65611341194666,0.1269416560657241,1.1296271182192,2.414213562373095
METHYL ISOCYANATE,15.737800031679551,0.06377282862162487,0.63554523852,2.414213562373095
n-BUTYL ISOCYANATE,30.03766796952733,0.10821835110704117,0.9675317473199999,2.414213562373095
PHENYL ISOCYANATE,33.1246140957183,0.10460654477603876,0.9981061747072001,2.414213562373095
CYCLOHEXYL ISOCYANATE,36.983404475084896,0.11956008441580113,1.1056466101248001,2.414213562373095
TOLUENE DIISOCYANATE,55.377727000212836,0.15630762171963977,1.2728188353792,2.414213562373095
"1,5-NAPHTHALENE DIISOCYANATE",69.81416366382078,0.18553927291071923,0.37464,2.414213562373095
"DIPHENYLMETHANE-4,4'-DIISOCYANATE",90.3518263668681,0.23053963607831157,1.5961842,2.414213562373095
METHYL MERCAPTAN,9.78336410761863,0.04260098088185581,0.6118701793792001,2.414213562373095
ETHYL MERCAPTAN,14.535046936375526,0.05958931578853668,0.6547566627072,2.414213562373095
"1,2-ETHANEDITHIOL",26.265696044211992,0.08106967304407775,0.75317287392,2.414213562373095
ISOPROPYL MERCAPTAN,18.022376858817406,0.07133531108194084,0.6920370260352,2.414213562373095
n-PROPYL MERCAPTAN,19.917827856501766,0.0759581435766349,0.7176327316991999,2.414213562373095
n-BUTYL MERCAPTAN,26.220193082858675,0.09411695768168012,0.7733276074368,2.414213562373095
Sec-BUTYL MERCAPTAN,24.211424658496888,0.08943213858939116,0.7441792828288,2.414213562373095
tert-BUTYL MERCAPTAN,22.15912232197662,0.08555782211620454,0.6599403255168,2.414213562373095
ISOBUTYL MERCAPTAN,24.650426138460574,0.09023928785463838,0.7472733238272,2.414213562373095
n-PENTYL MERCAPTAN,33.00667942945342,0.11294933725221024,0.8414819175792,2.414213562373095
PHENYL MERCAPTAN,32.076542202214306,0.09526894584622617,0.7613042163072,2.414213562373095
CYCLOHEXYL MERCAPTAN,35.56886132219365,0.10961876846278827,0.7631242672048,2.414213562373095
n-HEXYL MERCAPTAN,40.360328223427075,0.13257134990575203,0.9057723911088,2.414213562373095
BENZYL MERCAPTAN,39.99086545529411,0.11493805537120308,0.8120588521391999,2.414213562373095
n-HEPTYL MERCAPTAN,48.10187547254051,0.15261082172381235,0.9781938580608002,2.414213562373095
n-OCTYL MERCAPTAN,56.59470285003604,0.17355522578691487,1.0136083761072001,2.414213562373095
tert-OCTYL MERCAPTAN,48.61458255612085,0.15866533602803085,0.8131632281008,2.414213562373095
n-NONYL MERCAPTAN,64.29938129837608,0.19321583579400625,1.1178498040751998,2.414213562373095
n-DECYL MERCAPTAN,72.84075297694166,0.21416486447644387,1.1874306619008,2.414213562373095
UNDECYL MERCAPTAN,81.54160063819766,0.23501951154521572,1.2496906644352,2.414213562373095
n-DODECYL MERCAPTAN,91.2419426463007,0.25789266666946387,1.2824153181552,2.414213562373095
tert-DODECYL MERCAPTAN,82.21739387455604,0.24348302839517003,1.2147387656832,2.414213562373095
CARBON DISULFIDE,12.353119742642816,0.0457952684542773,0.5420604500592,2.414213562373095
DIMETHYL SULFIDE,14.655637014837389,0.05961907255026558,0.6628171150847999,2.414213562373095
DIMETHYL DISULFIDE,21.943560971069925,0.07409988214888555,0.7646635976832,2.414213562373095
METHYL ETHYL SULFIDE,21.358465120671585,0.08200226845657337,0.6853249051248,2.414213562373095
THIOPHENE,18.892749958257117,0.06673247021080403,0.6619543049472,2.414213562373095
TETRAHYDROTHIOPHENE,24.788127325801316,0.08026829457992335,0.6692819964528,2.414213562373095
DIETHYL SULFIDE,25.094400901455888,0.09216960637854488,0.8041801728768,2.414213562373095
METHYL-n-PROPYL SULFIDE,25.753170261416,0.09327500629740267,0.7765363986351999,2.414213562373095
DIETHYL DISULFIDE,34.11019733850977,0.10872570681101923,0.8764903642368,2.414213562373095
2-METHYLTHIOPHENE,24.192370180132237,0.08129131751494927,0.7276807131567999,2.414213562373095
3-METHYLTHIOPHENE,24.51121181785562,0.08182525063491608,0.7288111741872,2.414213562373095
METHYL-n-BUTYL SULFIDE,32.457035756557154,0.11200494480026868,0.8444927044528,2.414213562373095
METHYL-t-BUTYL SULFIDE,29.394997056496383,0.10553137606685532,0.7198994408448,2.414213562373095
DI-n-PROPYL SULFIDE,38.44021027128853,0.12937942334301322,0.91368991008,2.414213562373095
ETHYL-t-BUTYL SULFIDE,35.37789627315872,0.12312258184328158,0.7937867675568,2.414213562373095
METHYL-t-PENTYL SULFIDE,40.870646608502675,0.13233583626692846,0.7904544645552,2.414213562373095
DI-n-PROPYL DISULFIDE,48.16012230897177,0.14600470263980492,0.9977143749999998,2.414213562373095
BENZOTHIOPHENE,43.9809167821521,0.11936471566866386,0.80680834812,2.414213562373095
DIBENZOTHIOPHENE,66.76152181171778,0.15230593267643489,0.9461012691312001,2.414213562373095
GLYCOLIC ACID,16.625339626450256,0.05522972102478761,1.7053772915712,2.414213562373095
PYRUVIC ACID,22.822824833417997,0.07360496613640213,1.2878494038447998,2.414213562373095
LACTIC ACID,24.484117875035988,0.07422731044594152,1.6690016503728,2.414213562373095
METHOXYACETIC ACID,30.707943180028586,0.09094016057804098,1.2328740172032,2.414213562373095
DIGLYCOLIC ACID,48.72271165862485,0.12159077715618845,1.7261174426992,2.414213562373095
MALIC ACID,38.531873331053724,0.10096064717340303,2.0992851052288,2.414213562373095
TARTARIC ACID,42.389047898067865,0.10476262236883511,2.3844900528048,2.414213562373095
LEVULINIC ACID,43.392638091892735,0.12032135889994777,1.3859792962992,2.414213562373095
ASCORBIC ACID,37.118958940258075,0.09701012427557545,2.5184526970800003,2.414213562373095
CITRIC ACID,56.98101726770524,0.14185394447123761,2.3015137308928,2.414213562373095
HYDROXYCAPROIC ACID,50.55487525752574,0.1364824698984882,1.8030200595072,2.414213562373095
SALICYLIC ACID,33.76617486280415,0.09350190571324778,1.4918434865152,2.414213562373095
ETHYL-3-ETHOXYPROPIONATE,43.671355766236324,0.14674469766575068,1.1760133472688,2.414213562373095
ACETOL,19.820271134795114,0.06805285773756846,1.4061968333568,2.414213562373095
"2,3-EPOXY-1-PROPANOL",21.36434486528906,0.06939562093522038,1.2895009886832,2.414213562373095
2-METHOXYETHANOL,20.33504539831604,0.07378177144214168,1.3579120998768002,2.414213562373095
ACETALDOL,0.0,0.0,0.37464,2.414213562373095
2-ETHOXYETHANOL,24.45568893023447,0.08795300274496694,1.3898328059247997,2.414213562373095
FURFURAL,25.41279493870679,0.07760030815876856,0.9053693033472,2.414213562373095
SUCROSE,134.5377126250368,0.2589964497172636,0.9077871011327999,2.414213562373095
HYDROXYACETONITRILE,23.812448619647487,0.07338697936164898,1.4364763393392002,2.414213562373095
AMINOACETONITRILE,23.96433389879719,0.07686483851091874,1.0343311798191999,2.414213562373095
HYDRACRYLONITRILE,31.18251820098761,0.09247942685539665,1.46493493068,2.414213562373095
LACTONITRILE,26.325825313411666,0.08378264330046949,1.4230056979968,2.414213562373095
3-METHOXYPROPIONITRILE,35.914057856036905,0.11519319790126213,1.0265763236272,2.414213562373095
AMINOCAPRONITRILE,51.16102549320966,0.14999157110139208,1.2768513019648,2.414213562373095
PHENYLACETONITRILE,49.59823350996274,0.13865583917961516,1.04180906748,2.414213562373095
m-NITROANILINE,48.130343770746734,0.12084936997840683,1.3563049546672001,2.414213562373095
o-NITROANILINE,44.538529234449314,0.11625264547616067,1.3692467164799997,2.414213562373095
p-NITROANILINE,52.47625893201634,0.12618750165843462,1.4160727607807997,2.414213562373095
"4,4'-DINITRODIPHENYLAMINE",104.82217275124478,0.23164621402258936,1.6715750985072,2.414213562373095
o-NITRODIPHENYLAMINE,77.80586799117965,0.19068165482205912,1.3986496301487998,2.414213562373095
p-NITRODIPHENYLAMINE,90.39083950353978,0.20552513693395597,0.37464,2.414213562373095
"4,4'-DINITROTRIPHENYLAMINE",143.3139439293553,0.31001331500754153,1.735011448,2.414213562373095
FORMAMIDE,24.408448170637445,0.06478415919455945,0.9647617147008001,2.414213562373095
UREA,17.58949723526416,0.05105606560000751,0.37464,2.414213562373095
ACETAMIDE,28.102883344240386,0.07556997170546394,0.97609056928,2.414213562373095
N-METHYLFORMAMIDE,29.625168671234913,0.08408307826025925,0.9615930479999999,2.414213562373095
MONOETHANOLAMINE,20.678553050256053,0.06239436895719702,1.0097074649712,2.414213562373095
ACRYLAMIDE,33.65832294357757,0.08875928345575455,1.0608082807152,2.414213562373095
"N,N-DIMETHYLFORMAMIDE",30.57706374381378,0.09632362053739028,0.8373720883632,2.414213562373095
N-METHYLACETAMIDE,33.15457934439498,0.09449353877718296,0.9945782282608001,2.414213562373095
1-AMINO-2-PROPANOL,21.294925101191172,0.0709726108052074,1.4212185395199999,2.414213562373095
3-AMINO-1-PROPANOL,24.527363827806766,0.07733733673684964,1.4658116237232002,2.414213562373095
METHYLETHANOLAMINE,24.35229262533735,0.07910106668785083,1.1851018873199999,2.414213562373095
2-METHACRYLAMIDE,32.26772994506398,0.08911139478576685,0.9759590678448,2.414213562373095
"N,N-DIMETHYLACETAMIDE",34.409055882597,0.10701136375052117,0.89958637308,2.414213562373095
DIMETHYLETHANOLAMINE,25.29532528732626,0.09052404736559069,1.33473663168,2.414213562373095
2-AMINOETHOXYETHANOL,35.891559169443084,0.10507470635614317,1.6159513090992002,2.414213562373095
DIETHANOLAMINE,40.6965511093891,0.11305998593094664,1.5991672247728002,2.414213562373095
LYSINE,61.15647131611428,0.1524341585018971,1.6588705746288,2.414213562373095
FORMANILIDE,48.264600613271114,0.12549806225640595,1.1348739045808,2.414213562373095
o-NITROANISOLE,52.09011038643749,0.13631120608487132,1.1552701663152,2.414213562373095
ACETANILIDE,58.44236782719356,0.14496290734044454,1.15799520508,2.414213562373095
ACETAMINOPHEN,40.72595250786661,0.11323390165860789,1.4353660593072002,2.414213562373095
p-PHENETIDINE,51.00378278324165,0.13842485503664,1.1226165898607998,2.414213562373095
8-HYDROXYQUINOLINE,45.61318604937499,0.11845331703668215,1.1065289534832,2.414213562373095
L-PHENYLALANINE,67.31552056121086,0.16130223079161793,1.4922765426048,2.414213562373095
ACETOACETANILIDE,68.1571035521005,0.17369152032557533,1.4361433120127998,2.414213562373095
"1-CHLORO-2,4-DINITROBENZENE",60.771378778154364,0.1528200896491813,1.3588299935088,2.414213562373095
"1,2-DICHLORO-4-NITROBENZENE",51.11692810806255,0.13799983812190855,1.12687500108,2.414213562373095
m-CHLORONITROBENZENE,44.30427672468919,0.12218693798686049,1.0679663365488,2.414213562373095
o-CHLORONITROBENZENE,46.11366066943428,0.12465702433430374,1.0609362515968,2.414213562373095
p-CHLORONITROBENZENE,45.38556167312324,0.12366898979532646,1.0622156635008,2.414213562373095
"3,4-DICHLOROANILINE",49.87228032480395,0.1275710925096884,1.0370407881472,2.414213562373095
m-CHLOROANILINE,39.35419122561327,0.10723439115144423,0.9745121957632,2.414213562373095
o-CHLOROANILINE,36.37353518673299,0.10309351586064279,0.9764850411951999,2.414213562373095
p-CHLOROANILINE,39.669233527636926,0.10766275756083747,0.97609056928,2.414213562373095
4-CHLORO-3-NITROBENZOTRIFLUORIDE,55.00709913687057,0.1640883177405867,1.2074506551552,2.414213562373095
TRIPHENYLPHOSPHINE,41.507800600963236,0.08426597019829167,1.0162062843311999,2.414213562373095
HYDROXYLAMINE,7.702482417508886,0.027460083846925304,0.37464,2.414213562373095
SILVER,27.358797073261297,0.008734177314904322,0.5997596689008,2.414213562373095
ALUMINUM,30.007240058441663,0.00858701675648622,0.37464,2.414213562373095
ARGON,1.4881950803374222,0.02018686119837187,0.37464,2.414213562373095
ARSENIC,40.198766855456796,0.04916995667115812,-0.22946532608000003,2.414213562373095
BERYLLIUM,221.3508751980024,0.08702490249917899,0.7113921556607999,2.414213562373095
BISMUTH,88.78081133431559,0.03932422476789614,-0.005368718835200039,2.414213562373095
BROMINE,10.610549640143239,0.03717034022125007,0.56909980128,2.414213562373095
CARBON,66.60632426559239,0.020014806289385022,0.8498235870591999,2.414213562373095
CALCIUM,223.42590068649477,0.13994823275826407,0.5539031728752,2.414213562373095
CHLORINE,7.228610365779449,0.03546056116206393,0.4794698378752,2.414213562373095
DEUTERIUM,0.28346288837102307,0.015125644035578761,0.14549928298079998,2.414213562373095
FLUORINE,1.2861129015864317,0.01826156011045504,0.45562157472,2.414213562373095
IRON,27.52667650713133,0.006031008472805957,-0.10960475179519999,2.414213562373095
GERMANIUM,47.27116828590603,0.009867800688399962,0.26298851147999996,2.414213562373095
HYDROGEN,0.26871124973725163,0.01656767749878121,0.028918452479999968,2.414213562373095
HELIUM-3,0.02998356875324144,0.018536953686479788,-0.41254211252,2.414213562373095
HELIUM-4,0.03807147136433619,0.014982329828756432,-0.26789623200000007,2.414213562373095
MERCURY,5.995574499125607,0.007071545830748245,0.11363412731999999,2.414213562373095
IODINE,18.44072243595518,0.04606780620298645,0.54324627708,2.414213562373095
POTASSIUM,97.62662196872753,0.08986939858766328,0.08287472961119993,2.414213562373095
KRYPTON,2.5512641147074744,0.024938222244526867,0.37464,2.414213562373095
LITHIUM,31.027429484090685,0.015543068899501876,0.30547492091999995,2.414213562373095
NITROGEN,1.5002747022999117,0.024327331159826254,0.43239956740319996,2.414213562373095
SODIUM,59.78910996896329,0.04755162228369071,0.20892729291999995,2.414213562373095
NEON,0.23798843552369758,0.01096871922673537,0.31314322625279994,2.414213562373095
OXYGEN,1.517537943916555,0.02008950757301512,0.40874514462719996,2.414213562373095
PHOSPHORUS,37.97447560672108,0.07819836620379106,0.37464,2.414213562373095
SULFUR,30.324293726528495,0.0472616635645712,0.7381242947952,2.414213562373095
SILICON,142.38308644921884,0.059633180947248794,1.7057654329728,2.414213562373095
VANADIUM,39.82679292954408,0.007196480635692878,-0.012387422028800013,2.414213562373095
XENON,4.603649583741783,0.032514481960613725,0.37464,2.414213562373095
ZINC,11.082762362626264,0.007154376557358494,0.49329408671999997,2.414213562373095
DIMETHYLDICHLOROSILANE,24.847737868179284,0.09771794690017019,0.767880087,2.414213562373095
DIMETHYLCHLOROSILANE,19.71046031579225,0.08545506404197357,0.7469921553407999,2.414213562373095
TRIMETHYLCHLOROSILANE,24.796605218436216,0.10194454569564691,0.7715126796208,2.414213562373095
TETRAMETHYLSILANE,23.08867053909877,0.1049019546644061,0.70656273408,2.414213562373095
HEXAMETHYLDISILOXANE,45.02045269306651,0.17761377522178026,0.9716164919808001,2.414213562373095
HEXAMETHYLCYCLOTRISILOXANE,59.14995151400588,0.2184091895262708,1.0452839584512,2.414213562373095
HEXAMETHYLDISILAZANE,49.36519116952169,0.18569703062535928,1.0911130994608,2.414213562373095
OCTAMETHYLCYCLOTETRASILOXANE,82.70880089941474,0.2885803420468624,1.1893902236799998,2.414213562373095
DECAMETHYLCYCLOPENTASILOXANE,105.84526957296525,0.3498312580254252,1.2818239683712,2.414213562373095
DODECAMETHYLCYCLOHEXASILOXANE,138.99969766394543,0.44045226808425275,1.3751790583552,2.414213562373095
DICHLOROSILANE,14.700648335026766,0.06554006063716765,0.52393377868,2.414213562373095
TRICHLOROSILANE,17.622103204537183,0.07528444666505786,0.6767389112688,2.414213562373095
TETRACHLOROSILANE,22.931994464041683,0.09255862720193965,0.7176327316991999,2.414213562373095
TETRAFLUOROSILANE,5.7753345143566905,0.04563104511892116,0.9294685725312,2.414213562373095
SILANE,4.809980501645815,0.036496011532672366,0.5209545274799999,2.414213562373095
DISILANE,11.651382604184573,0.055192078882736466,0.5286960891312,2.414213562373095
TRIMETHYLALUMINUM,30.778578410359792,0.10158741355066572,0.6978825417328,2.414213562373095
TRIMETHYLGALLIUM,20.619667181174584,0.08273599816255613,0.6833232448432001,2.414213562373095
CHLOROSULFONIC ACID,18.46313984753781,0.053974739501319355,0.8144052380799999,2.414213562373095
PERCHLORIC ACID,33.0369586794025,0.1071405167434007,0.4507751356032,2.414213562373095
NITRIC ACID,12.569184296019813,0.049463721272879686,1.3386721861887998,2.414213562373095
WATER,6.081375081557752,0.019230620276528713,0.8744568677808,2.414213562373095
HYDROGEN PEROXIDE,7.868484338058978,0.022052713276207253,0.8924448417792,2.414213562373095
MAGNESIUM OXIDE,3343.393845445495,1.149882881742957,0.37464,2.414213562373095
PHOSPHORUS PENTOXIDE,23.008632471986626,0.03647099403995792,1.1950162656768002,2.414213562373095
In [19]:
#Create a Pandas Excel writer using XlsxWriter as the engine.
writer = pd.ExcelWriter('pandas_simple.xlsx', engine='xlsxwriter')
# Convert the dataframe to an XlsxWriter Excel object.
components_table_PR_all.to_excel(writer, sheet_name='Sheet1')
# Close the Pandas Excel writer and output the Excel file.
writer.save()
In [20]:
result = pd.concat([name, components_table_PR_all], axis=1, join_axes=[components_table_PR_all.index])
result
Out[20]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
ac
b
rm
del1
METHANE
0.0115
190.564
45.389
0.0986
0.2860
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
2.528951
0.027157
0.392340
2.414214
ETHANE
0.0995
305.320
48.083
0.1455
0.2790
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
6.128134
0.041073
0.525423
2.414214
PROPANE
0.1523
369.830
41.924
0.2000
0.2760
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
10.312189
0.057060
0.603265
2.414214
n-BUTANE
0.2002
425.120
37.464
0.2550
0.2740
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
15.248188
0.073399
0.672582
2.414214
n-PENTANE
0.2515
469.700
33.259
0.3130
0.2700
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
20.967239
0.091349
0.745445
2.414214
n-HEXANE
0.3013
507.600
29.854
0.3710
0.2660
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.2610
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
34.109839
0.129214
0.880689
2.414214
n-OCTANE
0.3996
568.700
24.574
0.4860
0.2560
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
41.600631
0.149692
0.947826
2.414214
n-NONANE
0.4435
594.600
22.601
0.5440
0.2520
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
49.446035
0.170173
1.005541
2.414214
n-DECANE
0.4923
617.700
20.824
0.6000
0.2470
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.2420
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
67.064566
0.214771
1.116594
2.414214
n-DODECANE
0.5764
658.000
17.962
0.7160
0.2380
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.2320
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.2260
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.2240
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.2200
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.2190
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.2170
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.2150
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.2130
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.2110
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.2090
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.2080
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.2070
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.2050
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.2030
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.2000
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.2000
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.1960
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.1960
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
SULFUR
0.2463
1313.000
179.700
0.1580
0.2640
388.360
717.824
388.360
3.054530e-05
0.017870
20.2454
30.324294
0.047262
0.738124
2.414214
SILICON
1.0596
4886.000
529.978
0.2326
0.3070
1685.000
3151.000
1685.000
4.675110e-07
0.011087
197.8380
142.383086
0.059633
1.705765
2.414214
VANADIUM
-0.2408
11325.000
10179.124
0.0328
0.3590
2190.000
3653.150
2190.000
3.112910e-05
0.000000
0.0000
39.826793
0.007196
-0.012387
2.414214
XENON
0.0000
289.740
57.640
0.1180
0.2860
161.360
165.030
161.360
8.059990e-01
0.044449
15.9089
4.603650
0.032514
0.374640
2.414214
ZINC
0.0780
3170.000
2866.024
0.0330
0.3636
692.700
1181.150
692.700
2.043470e-04
0.009979
109.4470
11.082762
0.007154
0.493294
2.414214
DIMETHYLDICHLOROSILANE
0.2675
520.350
34.444
0.3580
0.2890
197.050
343.350
197.050
1.323370e-04
0.121206
15.6323
24.847738
0.097718
0.767880
2.414214
DIMETHYLCHLOROSILANE
0.2526
472.000
35.727
0.2990
0.2760
162.150
308.650
162.150
4.154710e-05
0.109917
14.3865
19.710460
0.085455
0.746992
2.414214
TRIMETHYLCHLOROSILANE
0.2701
497.750
31.582
0.3660
0.2830
215.450
330.750
215.450
2.014680e-03
0.127296
14.6548
24.796605
0.101945
0.771513
2.414214
TETRAMETHYLSILANE
0.2240
450.400
27.772
0.3570
0.2680
174.070
299.800
174.070
2.608800e-04
0.137700
12.6060
23.088671
0.104902
0.706563
2.414214
HEXAMETHYLDISILOXANE
0.4176
518.700
18.890
0.6010
0.2670
204.930
373.670
204.930
5.704260e-05
0.213585
12.5781
45.020453
0.177614
0.971616
2.414214
HEXAMETHYLCYCLOTRISILOXANE
0.4742
554.200
16.413
0.6340
0.2290
337.150
408.260
337.150
8.380000e-02
0.249999
12.4479
59.149952
0.218409
1.045284
2.414214
HEXAMETHYLDISILAZANE
0.5101
544.000
18.949
0.6130
0.2600
0.000
399.150
0.000
0.000000e+00
0.209042
13.6319
49.365191
0.185697
1.091113
2.414214
OCTAMETHYLCYCLOTETRASILOXANE
0.5890
586.500
13.146
0.9700
0.2650
290.800
448.150
290.800
7.295520e-04
0.312420
12.9222
82.708801
0.288580
1.189390
2.414214
DECAMETHYLCYCLOPENTASILOXANE
0.6658
619.150
11.448
1.2160
0.2740
235.150
484.100
235.150
6.955680e-07
0.388615
12.0599
105.845270
0.349831
1.281824
2.414214
DODECAMETHYLCYCLOHEXASILOXANE
0.7462
645.800
9.484
1.6100
0.2880
270.150
518.150
270.150
2.834620e-06
0.462201
11.6290
138.999698
0.440452
1.375179
2.414214
DICHLOROSILANE
0.0985
459.000
45.300
0.2370
0.2850
151.150
281.450
151.150
4.528600e-05
0.081957
16.6804
14.700648
0.065540
0.523934
2.414214
TRICHLOROSILANE
0.2031
479.000
41.155
0.2680
0.2810
144.950
305.000
144.950
2.832050e-06
0.101489
15.4886
17.622103
0.075284
0.676739
2.414214
TETRACHLOROSILANE
0.2318
507.000
35.431
0.3260
0.2780
204.300
330.000
204.300
7.816670e-04
0.115581
15.3423
22.931994
0.092559
0.717633
2.414214
TETRAFLUOROSILANE
0.3858
259.000
36.714
0.2020
0.3490
186.350
178.000
186.350
2.178400e+00
0.063961
14.4327
5.775335
0.045631
0.929469
2.414214
SILANE
0.0965
269.700
47.800
0.1327
0.2870
88.150
161.000
88.480
1.581380e-04
0.055126
14.2013
4.809981
0.036496
0.520955
2.414214
DISILANE
0.1017
432.000
50.629
0.1980
0.2830
140.650
259.000
143.850
2.318210e-04
0.074015
16.0554
11.651383
0.055192
0.528696
2.414214
TRIMETHYLALUMINUM
0.2179
620.000
39.477
0.2710
0.2100
288.430
400.270
288.430
8.795490e-03
0.096325
20.4074
30.778578
0.101587
0.697883
2.414214
TRIMETHYLGALLIUM
0.2077
510.000
39.872
0.2110
0.2010
257.450
328.950
257.450
3.297440e-02
0.100788
17.3704
20.619667
0.082736
0.683323
2.414214
CHLOROSULFONIC ACID
0.3010
700.000
83.888
0.1950
0.2850
193.150
427.000
193.150
5.090520e-08
0.000000
26.1158
18.463140
0.053975
0.814405
2.414214
PERCHLORIC ACID
0.0498
631.000
38.095
0.1680
0.1240
171.950
385.000
171.950
1.274040e-06
0.000000
22.2548
33.036959
0.107141
0.450775
2.414214
NITRIC ACID
0.7144
520.000
68.000
0.1450
0.2310
231.550
356.150
231.550
5.997350e-04
2.170300
29.6056
12.569184
0.049464
1.338672
2.414214
WATER
0.3449
647.130
217.666
0.0559
0.2290
273.150
373.150
273.160
6.037300e-03
0.018069
47.8127
6.081375
0.019231
0.874457
2.414214
HYDROGEN PEROXIDE
0.3582
730.150
214.162
0.0777
0.2780
272.725
423.350
272.740
3.424620e-04
2.260200
45.8343
7.868484
0.022053
0.892445
2.414214
MAGNESIUM OXIDE
0.0000
5950.000
33.470
0.2095
0.0144
3105.000
3873.200
3105.000
0.000000e+00
0.000000
162.4650
3343.393845
1.149883
0.374640
2.414214
PHOSPHORUS PENTOXIDE
0.5936
1291.000
228.966
0.0000
0.0000
561.150
787.150
561.150
4.100290e-03
0.000000
0.0000
23.008632
0.036471
1.195016
2.414214
1150 rows × 15 columns
In [21]:
#Create a Pandas Excel writer using XlsxWriter as the engine.
writer = pd.ExcelWriter('tabla_parametros_completa_PR.xlsx', engine='xlsxwriter')
# Convert the dataframe to an XlsxWriter Excel object.
result.to_excel(writer, sheet_name='Sheet1')
# Close the Pandas Excel writer and output the Excel file.
writer.save()
In [26]:
parametrosCompletosPR = pd.read_excel("tabla_parametros_completa_PR.xlsx")
parametrosCompletosPR
Out[26]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
ac
b
rm
del1
METHANE
0.0115
190.564
45.389
0.0986
0.2860
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
2.528951
0.027157
0.392340
2.414214
ETHANE
0.0995
305.320
48.083
0.1455
0.2790
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
6.128134
0.041073
0.525423
2.414214
PROPANE
0.1523
369.830
41.924
0.2000
0.2760
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
10.312189
0.057060
0.603265
2.414214
n-BUTANE
0.2002
425.120
37.464
0.2550
0.2740
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
15.248188
0.073399
0.672582
2.414214
n-PENTANE
0.2515
469.700
33.259
0.3130
0.2700
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
20.967239
0.091349
0.745445
2.414214
n-HEXANE
0.3013
507.600
29.854
0.3710
0.2660
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.2610
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
34.109839
0.129214
0.880689
2.414214
n-OCTANE
0.3996
568.700
24.574
0.4860
0.2560
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
41.600631
0.149692
0.947826
2.414214
n-NONANE
0.4435
594.600
22.601
0.5440
0.2520
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
49.446035
0.170173
1.005541
2.414214
n-DECANE
0.4923
617.700
20.824
0.6000
0.2470
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.2420
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
67.064566
0.214771
1.116594
2.414214
n-DODECANE
0.5764
658.000
17.962
0.7160
0.2380
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.2320
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.2260
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.2240
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.2200
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.2190
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.2170
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.2150
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.2130
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.2110
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.2090
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.2080
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.2070
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.2050
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.2030
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.2000
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.2000
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.1960
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.1960
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
SULFUR
0.2463
1313.000
179.700
0.1580
0.2640
388.360
717.824
388.360
3.054530e-05
0.017870
20.2454
30.324294
0.047262
0.738124
2.414214
SILICON
1.0596
4886.000
529.978
0.2326
0.3070
1685.000
3151.000
1685.000
4.675110e-07
0.011087
197.8380
142.383086
0.059633
1.705765
2.414214
VANADIUM
-0.2408
11325.000
10179.124
0.0328
0.3590
2190.000
3653.150
2190.000
3.112910e-05
0.000000
0.0000
39.826793
0.007196
-0.012387
2.414214
XENON
0.0000
289.740
57.640
0.1180
0.2860
161.360
165.030
161.360
8.059990e-01
0.044449
15.9089
4.603650
0.032514
0.374640
2.414214
ZINC
0.0780
3170.000
2866.024
0.0330
0.3636
692.700
1181.150
692.700
2.043470e-04
0.009979
109.4470
11.082762
0.007154
0.493294
2.414214
DIMETHYLDICHLOROSILANE
0.2675
520.350
34.444
0.3580
0.2890
197.050
343.350
197.050
1.323370e-04
0.121206
15.6323
24.847738
0.097718
0.767880
2.414214
DIMETHYLCHLOROSILANE
0.2526
472.000
35.727
0.2990
0.2760
162.150
308.650
162.150
4.154710e-05
0.109917
14.3865
19.710460
0.085455
0.746992
2.414214
TRIMETHYLCHLOROSILANE
0.2701
497.750
31.582
0.3660
0.2830
215.450
330.750
215.450
2.014680e-03
0.127296
14.6548
24.796605
0.101945
0.771513
2.414214
TETRAMETHYLSILANE
0.2240
450.400
27.772
0.3570
0.2680
174.070
299.800
174.070
2.608800e-04
0.137700
12.6060
23.088671
0.104902
0.706563
2.414214
HEXAMETHYLDISILOXANE
0.4176
518.700
18.890
0.6010
0.2670
204.930
373.670
204.930
5.704260e-05
0.213585
12.5781
45.020453
0.177614
0.971616
2.414214
HEXAMETHYLCYCLOTRISILOXANE
0.4742
554.200
16.413
0.6340
0.2290
337.150
408.260
337.150
8.380000e-02
0.249999
12.4479
59.149952
0.218409
1.045284
2.414214
HEXAMETHYLDISILAZANE
0.5101
544.000
18.949
0.6130
0.2600
0.000
399.150
0.000
0.000000e+00
0.209042
13.6319
49.365191
0.185697
1.091113
2.414214
OCTAMETHYLCYCLOTETRASILOXANE
0.5890
586.500
13.146
0.9700
0.2650
290.800
448.150
290.800
7.295520e-04
0.312420
12.9222
82.708801
0.288580
1.189390
2.414214
DECAMETHYLCYCLOPENTASILOXANE
0.6658
619.150
11.448
1.2160
0.2740
235.150
484.100
235.150
6.955680e-07
0.388615
12.0599
105.845270
0.349831
1.281824
2.414214
DODECAMETHYLCYCLOHEXASILOXANE
0.7462
645.800
9.484
1.6100
0.2880
270.150
518.150
270.150
2.834620e-06
0.462201
11.6290
138.999698
0.440452
1.375179
2.414214
DICHLOROSILANE
0.0985
459.000
45.300
0.2370
0.2850
151.150
281.450
151.150
4.528600e-05
0.081957
16.6804
14.700648
0.065540
0.523934
2.414214
TRICHLOROSILANE
0.2031
479.000
41.155
0.2680
0.2810
144.950
305.000
144.950
2.832050e-06
0.101489
15.4886
17.622103
0.075284
0.676739
2.414214
TETRACHLOROSILANE
0.2318
507.000
35.431
0.3260
0.2780
204.300
330.000
204.300
7.816670e-04
0.115581
15.3423
22.931994
0.092559
0.717633
2.414214
TETRAFLUOROSILANE
0.3858
259.000
36.714
0.2020
0.3490
186.350
178.000
186.350
2.178400e+00
0.063961
14.4327
5.775335
0.045631
0.929469
2.414214
SILANE
0.0965
269.700
47.800
0.1327
0.2870
88.150
161.000
88.480
1.581380e-04
0.055126
14.2013
4.809981
0.036496
0.520955
2.414214
DISILANE
0.1017
432.000
50.629
0.1980
0.2830
140.650
259.000
143.850
2.318210e-04
0.074015
16.0554
11.651383
0.055192
0.528696
2.414214
TRIMETHYLALUMINUM
0.2179
620.000
39.477
0.2710
0.2100
288.430
400.270
288.430
8.795490e-03
0.096325
20.4074
30.778578
0.101587
0.697883
2.414214
TRIMETHYLGALLIUM
0.2077
510.000
39.872
0.2110
0.2010
257.450
328.950
257.450
3.297440e-02
0.100788
17.3704
20.619667
0.082736
0.683323
2.414214
CHLOROSULFONIC ACID
0.3010
700.000
83.888
0.1950
0.2850
193.150
427.000
193.150
5.090520e-08
0.000000
26.1158
18.463140
0.053975
0.814405
2.414214
PERCHLORIC ACID
0.0498
631.000
38.095
0.1680
0.1240
171.950
385.000
171.950
1.274040e-06
0.000000
22.2548
33.036959
0.107141
0.450775
2.414214
NITRIC ACID
0.7144
520.000
68.000
0.1450
0.2310
231.550
356.150
231.550
5.997350e-04
2.170300
29.6056
12.569184
0.049464
1.338672
2.414214
WATER
0.3449
647.130
217.666
0.0559
0.2290
273.150
373.150
273.160
6.037300e-03
0.018069
47.8127
6.081375
0.019231
0.874457
2.414214
HYDROGEN PEROXIDE
0.3582
730.150
214.162
0.0777
0.2780
272.725
423.350
272.740
3.424620e-04
2.260200
45.8343
7.868484
0.022053
0.892445
2.414214
MAGNESIUM OXIDE
0.0000
5950.000
33.470
0.2095
0.0144
3105.000
3873.200
3105.000
0.000000e+00
0.000000
162.4650
3343.393845
1.149883
0.374640
2.414214
PHOSPHORUS PENTOXIDE
0.5936
1291.000
228.966
0.0000
0.0000
561.150
787.150
561.150
4.100290e-03
0.000000
0.0000
23.008632
0.036471
1.195016
2.414214
1150 rows × 15 columns
In [27]:
from sklearn.neural_network import MLPRegressor
from sklearn.model_selection import train_test_split
In [46]:
X_train, X_test, y_train, y_test = train_test_split(
parametrosCompletosPR[["Tc", "Pc"]], parametrosCompletosPR["ac"],
test_size=0.30, random_state=42
)
In [47]:
model = MLPRegressor(
# ensayo 1
max_iter=1000,
# ensayo 2
hidden_layer_sizes=(100,100,100),
#learning_rate_init=0.0001,
)
model.fit(X_train, y_train)
Out[47]:
MLPRegressor(activation='relu', alpha=0.0001, batch_size='auto', beta_1=0.9,
beta_2=0.999, early_stopping=False, epsilon=1e-08,
hidden_layer_sizes=(100, 100, 100), learning_rate='constant',
learning_rate_init=0.001, max_iter=1000, momentum=0.9,
nesterovs_momentum=True, power_t=0.5, random_state=None,
shuffle=True, solver='adam', tol=0.0001, validation_fraction=0.1,
verbose=False, warm_start=False)
In [48]:
print(X_test.iloc[250])
print(y_test.iloc[250])
print(model.predict([X_test.iloc[250]]))
Tc 624.000
Pc 39.674
Name: 1,1,1,2-TETRACHLOROETHANE, dtype: float64
31.0221940381
[ 62.17410461]
In [49]:
predict = model.predict(X_test)
print("Predict: %s" % list(predict[:5]))
Predict: [52.672563207497802, 68.860561796705838, 59.210004826462402, 79.952164215602451, 52.417337626394293]
In [50]:
data_check = pd.DataFrame(predict, columns=["predict"])
data_check["ac"]=list(y_test)
data_check.set_index(["ac"], drop=False, inplace=True)
data_check.sort_values(by=["ac"], inplace=True)
In [51]:
%matplotlib notebook
In [38]:
# ensayo 1
data_check.plot()
Out[38]:
<matplotlib.axes._subplots.AxesSubplot at 0x7f3b069df4a8>
In [ ]:
In [52]:
# ensayo 2
data_check.plot()
Out[52]:
<matplotlib.axes._subplots.AxesSubplot at 0x7f3b0699d278>
In [ ]:
In [69]:
parametros300PR = pd.DataFrame(parametrosCompletosPR.ix[0:100])
parametros300PR
Out[69]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
ac
b
rm
del1
METHANE
0.0115
190.564
45.389
0.0986
0.286
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
2.528951
0.027157
0.392340
2.414214
ETHANE
0.0995
305.320
48.083
0.1455
0.279
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
6.128134
0.041073
0.525423
2.414214
PROPANE
0.1523
369.830
41.924
0.2000
0.276
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
10.312189
0.057060
0.603265
2.414214
n-BUTANE
0.2002
425.120
37.464
0.2550
0.274
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
15.248188
0.073399
0.672582
2.414214
n-PENTANE
0.2515
469.700
33.259
0.3130
0.270
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
20.967239
0.091349
0.745445
2.414214
n-HEXANE
0.3013
507.600
29.854
0.3710
0.266
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.261
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
34.109839
0.129214
0.880689
2.414214
n-OCTANE
0.3996
568.700
24.574
0.4860
0.256
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
41.600631
0.149692
0.947826
2.414214
n-NONANE
0.4435
594.600
22.601
0.5440
0.252
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
49.446035
0.170173
1.005541
2.414214
n-DECANE
0.4923
617.700
20.824
0.6000
0.247
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.242
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
67.064566
0.214771
1.116594
2.414214
n-DODECANE
0.5764
658.000
17.962
0.7160
0.238
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.232
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.226
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.224
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.220
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.219
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.217
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.215
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.213
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.211
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.209
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.208
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.207
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.205
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.203
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.200
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.200
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.196
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.196
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
2-METHYL-3-ETHYLPENTANE
0.3294
567.000
26.647
0.4428
0.254
158.200
388.800
158.200
4.405920e-09
0.159443
15.1742
38.135295
0.137634
0.853373
2.414214
3-METHYL-3-ETHYLPENTANE
0.3050
576.500
27.733
0.4551
0.267
182.280
391.420
182.280
6.170860e-07
0.157845
15.0569
37.880098
0.134461
0.819920
2.414214
2,2,3,3-TETRAMETHYLBUTANE
0.2450
568.000
28.325
0.4610
0.280
373.960
379.440
373.960
8.579340e-01
0.174697
12.7909
36.002783
0.129709
0.736292
2.414214
2,2,3-TRIMETHYLPENTANE
0.2971
563.500
26.943
0.4360
0.254
160.890
382.995
160.890
2.147450e-08
0.160344
14.6909
37.252139
0.135282
0.809020
2.414214
2,2,4-TRIMETHYLPENTANE
0.3022
543.960
25.344
0.4680
0.266
165.777
372.388
165.777
1.596650e-07
0.165452
14.0823
36.903545
0.138830
0.816061
2.414214
2,3,3-TRIMETHYLPENTANE
0.2903
573.500
27.831
0.4551
0.269
172.220
387.920
172.220
1.659970e-07
0.158155
14.9195
37.354881
0.133290
0.799611
2.414214
2,3,4-TRIMETHYLPENTANE
0.3161
566.300
26.943
0.4606
0.267
163.950
386.620
163.950
2.995250e-08
0.159513
14.9343
37.623266
0.135954
0.835178
2.414214
3,3-DIETHYLPENTANE
0.3381
610.050
26.400
0.4730
0.249
240.120
419.340
240.120
1.361140e-04
0.171012
15.2241
44.559084
0.149470
0.865223
2.414214
2,2-DIMETHYL-3-ETHYLPENTANE
0.3353
590.000
25.364
0.5110
0.268
173.680
406.990
173.680
3.900730e-08
0.175433
14.8318
43.380604
0.150462
0.861414
2.414214
2,4-DIMETHYL-3-ETHYLPENTANE
0.3530
591.000
24.969
0.5120
0.264
150.790
409.870
150.790
1.717130e-10
0.174682
14.9712
44.216375
0.153101
0.885423
2.414214
3-ETHYLHEPTANE
0.4080
590.000
23.587
0.5280
0.257
158.250
416.350
158.250
2.741110e-10
0.177515
15.2978
46.648817
0.161797
0.958950
2.414214
2,2,3,3-TETRAMETHYLPENTANE
0.2800
610.850
27.000
0.4780
0.257
263.260
413.440
263.260
1.281710e-03
0.170329
15.1080
43.683227
0.146340
0.785311
2.414214
2,2,3,4-TETRAMETHYLPENTANE
0.3106
592.150
25.300
0.4900
0.255
152.060
406.180
152.060
1.995920e-10
0.174450
14.9283
43.807883
0.151392
0.827626
2.414214
2,2,4,4-TETRAMETHYLPENTANE
0.3159
571.350
23.300
0.5040
0.250
206.950
395.440
206.950
1.760830e-05
0.179232
14.1634
44.285124
0.158613
0.834904
2.414214
2,3,3,4-TETRAMETHYLPENTANE
0.3127
607.700
26.805
0.4930
0.265
171.030
414.700
171.030
1.684590e-08
0.170767
15.0994
43.548378
0.146645
0.830512
2.414214
2,2,5-TRIMETHYLHEXANE
0.3596
568.050
22.995
0.5190
0.256
167.390
397.240
167.390
8.755160e-09
0.182247
14.3776
44.355659
0.159788
0.894333
2.414214
2,4,4-TRIMETHYLHEXANE
0.3522
581.000
24.278
0.5110
0.260
159.780
403.810
159.780
3.028150e-09
0.178125
14.5918
43.948968
0.154795
0.884342
2.414214
CYCLOPROPANE
0.1269
397.910
54.231
0.1628
0.270
145.590
240.370
145.590
7.262770e-04
0.069903
14.3720
9.228506
0.047460
0.566006
2.414214
CYCLOBUTANE
0.1847
459.930
49.149
0.2100
0.273
182.480
285.660
182.480
1.777460e-03
0.081424
16.0230
13.604360
0.060530
0.650287
2.414214
CYCLOPENTANE
0.1959
511.760
44.431
0.2580
0.273
179.311
322.400
179.280
9.318530e-05
0.094607
16.5452
18.631847
0.074503
0.666410
2.414214
CYCLOHEXANE
0.2096
553.580
40.197
0.3080
0.273
279.690
353.870
279.690
5.309850e-02
0.108860
16.7573
24.097748
0.089080
0.686040
2.414214
CYCLOHEPTANE
0.2430
604.300
37.900
0.3590
0.274
265.150
391.940
265.120
3.802610e-03
0.121809
17.2137
30.456171
0.103135
0.733471
2.414214
CYCLOOCTANE
0.2904
640.000
34.345
0.3960
0.259
287.980
423.840
287.980
3.982180e-03
0.134850
17.3733
37.696909
0.120534
0.799749
2.414214
METHYLCYCLOPENTANE
0.2302
532.790
37.355
0.3190
0.273
130.730
344.960
130.730
6.618200e-10
0.113042
16.1019
24.019984
0.092257
0.715365
2.414214
1,1-DIMETHYLCYCLOPENTANE
0.2724
547.000
33.999
0.3600
0.273
203.360
361.000
203.360
8.930760e-05
0.130925
15.4572
27.817483
0.104067
0.774723
2.414214
cis-1,2-DIMETHYLCYCLOPENTANE
0.2662
565.150
34.000
0.3700
0.271
219.260
372.680
219.260
2.378890e-04
0.127822
16.1644
29.693259
0.107517
0.766062
2.414214
trans-1,2-DIMETHYLCYCLOPENTANE
0.2698
553.150
34.000
0.3600
0.270
155.580
365.020
155.580
3.252850e-08
0.131474
15.7604
28.445674
0.105234
0.771094
2.414214
cis 1,3-DIMETHYLCYCLOPENTANE
0.2743
551.000
33.999
0.3600
0.271
139.450
363.920
139.450
1.704400e-09
0.000000
15.4906
28.225807
0.104828
0.777373
2.414214
trans 1,3-DIMETHYLCYCLOPENTANE
0.2699
553.000
33.999
0.3600
0.270
139.180
364.880
139.180
4.320340e-10
0.000000
15.6624
28.431085
0.105209
0.771233
2.414214
ETHYLCYCLOPENTANE
0.2716
569.520
33.536
0.3750
0.269
134.710
376.620
134.710
3.657620e-11
0.128749
16.2520
30.571449
0.109847
0.773607
2.414214
100 rows × 15 columns
In [72]:
X_train, X_test, y_train, y_test = train_test_split(
parametros300PR[["Tc", "Pc"]], parametros300PR["ac"],
test_size=0.30, random_state=42
)
model = MLPRegressor(
# ensayo 1
max_iter=1000,
# ensayo 2
#hidden_layer_sizes=(100,100,100),
learning_rate_init=0.0001,
)
model.fit(X_train, y_train)
predict = model.predict(X_test)
print("Predict: %s" % list(predict[:5]))
data_check = pd.DataFrame(predict, columns=["predict"])
data_check["ac"]=list(y_test)
data_check.set_index(["ac"], drop=False, inplace=True)
data_check.sort_values(by=["ac"], inplace=True)
Predict: [73.070314925137623, 70.254437552486181, 72.426786915187705, 78.095359431070079, 78.095359431070079]
/home/andres-python/anaconda3/lib/python3.5/site-packages/sklearn/neural_network/multilayer_perceptron.py:563: ConvergenceWarning: Stochastic Optimizer: Maximum iterations reached and the optimization hasn't converged yet.
% (), ConvergenceWarning)
In [73]:
# ensayo 3
data_check.plot()
Out[73]:
<matplotlib.axes._subplots.AxesSubplot at 0x7f3b05f8c780>
In [75]:
repeticionesDatosPR = [parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR,
parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,
parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR]
parametrosRepetidos = pd.concat(repeticionesDatosPR)
parametrosRepetidos
Out[75]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
ac
b
rm
del1
METHANE
0.0115
190.564
45.389
0.0986
0.2860
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
2.528951
0.027157
0.392340
2.414214
ETHANE
0.0995
305.320
48.083
0.1455
0.2790
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
6.128134
0.041073
0.525423
2.414214
PROPANE
0.1523
369.830
41.924
0.2000
0.2760
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
10.312189
0.057060
0.603265
2.414214
n-BUTANE
0.2002
425.120
37.464
0.2550
0.2740
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
15.248188
0.073399
0.672582
2.414214
n-PENTANE
0.2515
469.700
33.259
0.3130
0.2700
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
20.967239
0.091349
0.745445
2.414214
n-HEXANE
0.3013
507.600
29.854
0.3710
0.2660
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.2610
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
34.109839
0.129214
0.880689
2.414214
n-OCTANE
0.3996
568.700
24.574
0.4860
0.2560
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
41.600631
0.149692
0.947826
2.414214
n-NONANE
0.4435
594.600
22.601
0.5440
0.2520
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
49.446035
0.170173
1.005541
2.414214
n-DECANE
0.4923
617.700
20.824
0.6000
0.2470
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.2420
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
67.064566
0.214771
1.116594
2.414214
n-DODECANE
0.5764
658.000
17.962
0.7160
0.2380
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.2320
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.2260
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.2240
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.2200
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.2190
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.2170
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.2150
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.2130
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.2110
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.2090
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.2080
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.2070
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.2050
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.2030
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.2000
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.2000
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.1960
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.1960
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
SULFUR
0.2463
1313.000
179.700
0.1580
0.2640
388.360
717.824
388.360
3.054530e-05
0.017870
20.2454
30.324294
0.047262
0.738124
2.414214
SILICON
1.0596
4886.000
529.978
0.2326
0.3070
1685.000
3151.000
1685.000
4.675110e-07
0.011087
197.8380
142.383086
0.059633
1.705765
2.414214
VANADIUM
-0.2408
11325.000
10179.124
0.0328
0.3590
2190.000
3653.150
2190.000
3.112910e-05
0.000000
0.0000
39.826793
0.007196
-0.012387
2.414214
XENON
0.0000
289.740
57.640
0.1180
0.2860
161.360
165.030
161.360
8.059990e-01
0.044449
15.9089
4.603650
0.032514
0.374640
2.414214
ZINC
0.0780
3170.000
2866.024
0.0330
0.3636
692.700
1181.150
692.700
2.043470e-04
0.009979
109.4470
11.082762
0.007154
0.493294
2.414214
DIMETHYLDICHLOROSILANE
0.2675
520.350
34.444
0.3580
0.2890
197.050
343.350
197.050
1.323370e-04
0.121206
15.6323
24.847738
0.097718
0.767880
2.414214
DIMETHYLCHLOROSILANE
0.2526
472.000
35.727
0.2990
0.2760
162.150
308.650
162.150
4.154710e-05
0.109917
14.3865
19.710460
0.085455
0.746992
2.414214
TRIMETHYLCHLOROSILANE
0.2701
497.750
31.582
0.3660
0.2830
215.450
330.750
215.450
2.014680e-03
0.127296
14.6548
24.796605
0.101945
0.771513
2.414214
TETRAMETHYLSILANE
0.2240
450.400
27.772
0.3570
0.2680
174.070
299.800
174.070
2.608800e-04
0.137700
12.6060
23.088671
0.104902
0.706563
2.414214
HEXAMETHYLDISILOXANE
0.4176
518.700
18.890
0.6010
0.2670
204.930
373.670
204.930
5.704260e-05
0.213585
12.5781
45.020453
0.177614
0.971616
2.414214
HEXAMETHYLCYCLOTRISILOXANE
0.4742
554.200
16.413
0.6340
0.2290
337.150
408.260
337.150
8.380000e-02
0.249999
12.4479
59.149952
0.218409
1.045284
2.414214
HEXAMETHYLDISILAZANE
0.5101
544.000
18.949
0.6130
0.2600
0.000
399.150
0.000
0.000000e+00
0.209042
13.6319
49.365191
0.185697
1.091113
2.414214
OCTAMETHYLCYCLOTETRASILOXANE
0.5890
586.500
13.146
0.9700
0.2650
290.800
448.150
290.800
7.295520e-04
0.312420
12.9222
82.708801
0.288580
1.189390
2.414214
DECAMETHYLCYCLOPENTASILOXANE
0.6658
619.150
11.448
1.2160
0.2740
235.150
484.100
235.150
6.955680e-07
0.388615
12.0599
105.845270
0.349831
1.281824
2.414214
DODECAMETHYLCYCLOHEXASILOXANE
0.7462
645.800
9.484
1.6100
0.2880
270.150
518.150
270.150
2.834620e-06
0.462201
11.6290
138.999698
0.440452
1.375179
2.414214
DICHLOROSILANE
0.0985
459.000
45.300
0.2370
0.2850
151.150
281.450
151.150
4.528600e-05
0.081957
16.6804
14.700648
0.065540
0.523934
2.414214
TRICHLOROSILANE
0.2031
479.000
41.155
0.2680
0.2810
144.950
305.000
144.950
2.832050e-06
0.101489
15.4886
17.622103
0.075284
0.676739
2.414214
TETRACHLOROSILANE
0.2318
507.000
35.431
0.3260
0.2780
204.300
330.000
204.300
7.816670e-04
0.115581
15.3423
22.931994
0.092559
0.717633
2.414214
TETRAFLUOROSILANE
0.3858
259.000
36.714
0.2020
0.3490
186.350
178.000
186.350
2.178400e+00
0.063961
14.4327
5.775335
0.045631
0.929469
2.414214
SILANE
0.0965
269.700
47.800
0.1327
0.2870
88.150
161.000
88.480
1.581380e-04
0.055126
14.2013
4.809981
0.036496
0.520955
2.414214
DISILANE
0.1017
432.000
50.629
0.1980
0.2830
140.650
259.000
143.850
2.318210e-04
0.074015
16.0554
11.651383
0.055192
0.528696
2.414214
TRIMETHYLALUMINUM
0.2179
620.000
39.477
0.2710
0.2100
288.430
400.270
288.430
8.795490e-03
0.096325
20.4074
30.778578
0.101587
0.697883
2.414214
TRIMETHYLGALLIUM
0.2077
510.000
39.872
0.2110
0.2010
257.450
328.950
257.450
3.297440e-02
0.100788
17.3704
20.619667
0.082736
0.683323
2.414214
CHLOROSULFONIC ACID
0.3010
700.000
83.888
0.1950
0.2850
193.150
427.000
193.150
5.090520e-08
0.000000
26.1158
18.463140
0.053975
0.814405
2.414214
PERCHLORIC ACID
0.0498
631.000
38.095
0.1680
0.1240
171.950
385.000
171.950
1.274040e-06
0.000000
22.2548
33.036959
0.107141
0.450775
2.414214
NITRIC ACID
0.7144
520.000
68.000
0.1450
0.2310
231.550
356.150
231.550
5.997350e-04
2.170300
29.6056
12.569184
0.049464
1.338672
2.414214
WATER
0.3449
647.130
217.666
0.0559
0.2290
273.150
373.150
273.160
6.037300e-03
0.018069
47.8127
6.081375
0.019231
0.874457
2.414214
HYDROGEN PEROXIDE
0.3582
730.150
214.162
0.0777
0.2780
272.725
423.350
272.740
3.424620e-04
2.260200
45.8343
7.868484
0.022053
0.892445
2.414214
MAGNESIUM OXIDE
0.0000
5950.000
33.470
0.2095
0.0144
3105.000
3873.200
3105.000
0.000000e+00
0.000000
162.4650
3343.393845
1.149883
0.374640
2.414214
PHOSPHORUS PENTOXIDE
0.5936
1291.000
228.966
0.0000
0.0000
561.150
787.150
561.150
4.100290e-03
0.000000
0.0000
23.008632
0.036471
1.195016
2.414214
13800 rows × 15 columns
In [76]:
X_train, X_test, y_train, y_test = train_test_split(
parametrosRepetidos[["Tc", "Pc"]], parametrosRepetidos["ac"],
test_size=0.30, random_state=42
)
model = MLPRegressor(
# ensayo 1
max_iter=1000,
# ensayo 2
#hidden_layer_sizes=(100,100,100),
learning_rate_init=0.0001,
)
model.fit(X_train, y_train)
predict = model.predict(X_test)
print("Predict: %s" % list(predict[:5]))
data_check = pd.DataFrame(predict, columns=["predict"])
data_check["ac"]=list(y_test)
data_check.set_index(["ac"], drop=False, inplace=True)
data_check.sort_values(by=["ac"], inplace=True)
Predict: [21.38840039379458, 11.872047433940207, 35.968782517263286, 15.370919241174878, 16.743778246863453]
In [77]:
# ensayo 4
data_check.plot()
Out[77]:
<matplotlib.axes._subplots.AxesSubplot at 0x7f3b060a2518>
In [79]:
repeticionesDatosPR_2 = [parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR,
parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,
parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR,
parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR,
parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,parametrosCompletosPR,
parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR, parametrosCompletosPR]
parametrosRepetidos_2 = pd.concat(repeticionesDatosPR_2)
parametrosRepetidos_2
Out[79]:
Omega
Tc
Pc
Vc
Zc
Tm
Tb
Ttr
Ptr
Vliq
SolPar
ac
b
rm
del1
METHANE
0.0115
190.564
45.389
0.0986
0.2860
90.694
111.660
90.694
1.154310e-01
0.037969
11.6000
2.528951
0.027157
0.392340
2.414214
ETHANE
0.0995
305.320
48.083
0.1455
0.2790
90.352
184.550
90.352
1.115220e-05
0.055229
12.4000
6.128134
0.041073
0.525423
2.414214
PROPANE
0.1523
369.830
41.924
0.2000
0.2760
85.470
231.110
85.470
1.662970e-09
0.075700
13.1000
10.312189
0.057060
0.603265
2.414214
n-BUTANE
0.2002
425.120
37.464
0.2550
0.2740
134.860
272.650
134.860
6.647720e-06
0.096483
13.7000
15.248188
0.073399
0.672582
2.414214
n-PENTANE
0.2515
469.700
33.259
0.3130
0.2700
143.420
309.220
143.420
6.774420e-07
0.116045
14.4000
20.967239
0.091349
0.745445
2.414214
n-HEXANE
0.3013
507.600
29.854
0.3710
0.2660
177.830
341.880
177.830
8.899040e-06
0.131362
14.9000
27.280355
0.109979
0.814819
2.414214
n-HEPTANE
0.3495
540.200
27.042
0.4280
0.2610
182.570
371.580
182.570
1.803050e-06
0.147024
15.2000
34.109839
0.129214
0.880689
2.414214
n-OCTANE
0.3996
568.700
24.574
0.4860
0.2560
216.380
398.830
216.380
2.080730e-05
0.163374
15.4000
41.600631
0.149692
0.947826
2.414214
n-NONANE
0.4435
594.600
22.601
0.5440
0.2520
219.660
423.970
219.660
4.249520e-06
0.179559
15.6000
49.446035
0.170173
1.005541
2.414214
n-DECANE
0.4923
617.700
20.824
0.6000
0.2470
243.510
447.305
243.510
1.374750e-05
0.195827
15.7000
57.916241
0.191869
1.068477
2.414214
n-UNDECANE
0.5303
639.000
19.245
0.6590
0.2420
247.571
469.078
247.571
4.030730e-06
0.212243
15.9000
67.064566
0.214771
1.116594
2.414214
n-DODECANE
0.5764
658.000
17.962
0.7160
0.2380
263.568
489.473
263.568
6.071580e-06
0.228605
15.9000
76.191481
0.236954
1.173921
2.414214
n-TRIDECANE
0.6174
675.000
16.580
0.7750
0.2320
267.760
508.616
267.760
2.476770e-06
0.244631
16.1000
86.862503
0.263337
1.223942
2.414214
n-TETRADECANE
0.6430
693.000
15.495
0.8300
0.2260
279.010
526.727
279.010
2.493810e-06
0.261271
16.1000
97.967992
0.289290
1.254715
2.414214
n-PENTADECANE
0.6863
708.000
14.606
0.8890
0.2240
283.072
543.835
283.072
1.271870e-06
0.277783
16.2000
108.478717
0.313541
1.305959
2.414214
n-HEXADECANE
0.7174
723.000
13.817
0.9440
0.2200
291.308
560.014
291.308
9.103690e-07
0.294213
16.2000
119.583747
0.338467
1.342140
2.414214
n-HEPTADECANE
0.7697
736.000
13.225
1.0000
0.2190
295.134
575.300
295.134
4.594710e-07
0.310939
16.1000
129.470036
0.359977
1.401807
2.414214
n-OCTADECANE
0.8114
747.000
12.534
1.0600
0.2170
301.310
589.860
301.310
3.346570e-07
0.328233
16.1000
140.721622
0.385499
1.448323
2.414214
n-NONADECANE
0.8522
758.000
11.942
1.1200
0.2150
305.040
603.050
305.040
1.570090e-07
0.345621
16.2000
152.079496
0.410567
1.492926
2.414214
n-EICOSANE
0.9069
768.000
11.448
1.1700
0.2130
309.580
616.930
309.580
9.136310e-08
0.363690
16.2000
162.855391
0.433934
1.551315
2.414214
n-HENEICOSANE
0.9420
778.000
10.955
1.2300
0.2110
313.350
629.650
313.350
6.134040e-08
0.381214
16.2000
174.644990
0.459367
1.587932
2.414214
n-DOCOSANE
0.9730
787.000
10.461
1.2900
0.2090
317.150
641.750
317.150
3.548730e-08
0.399078
16.2000
187.148169
0.486624
1.619718
2.414214
n-TRICOSANE
1.0262
796.000
10.067
1.3500
0.2080
320.650
653.350
320.650
1.844110e-08
0.416872
16.2000
198.946080
0.511453
1.673058
2.414214
n-TETRACOSANE
1.0710
804.000
9.672
1.4100
0.2070
323.750
664.450
323.750
1.366960e-08
0.434942
16.3000
211.254092
0.537690
1.716791
2.414214
n-PENTACOSANE
1.1053
812.000
9.376
1.4600
0.2050
326.650
675.050
326.650
7.883150e-09
0.452649
16.2000
222.281736
0.560184
1.749542
2.414214
n-HEXACOSANE
1.1544
819.000
8.981
1.5200
0.2030
329.250
685.350
329.250
5.090710e-09
0.469975
16.3000
236.076320
0.589864
1.795319
2.414214
n-OCTACOSANE
1.2375
832.000
8.389
1.6300
0.2000
334.350
704.750
334.350
1.030910e-09
0.506321
16.3000
260.822935
0.641513
1.869830
2.414214
n-TRIACONTANE
1.2986
844.000
7.895
1.7500
0.2000
338.650
722.850
338.650
4.146430e-10
0.540500
16.2000
285.195112
0.691485
1.922236
2.414214
n-DOTRIACONTANE
1.3765
855.000
7.402
1.8600
0.1960
342.350
738.850
342.350
6.872220e-11
0.576606
16.2000
312.170937
0.747153
1.986129
2.414214
n-HEXATRIACONTANE
1.5260
874.000
6.711
2.0900
0.1960
349.050
770.150
349.050
2.859590e-12
0.648426
16.1000
359.786568
0.842396
2.099573
2.414214
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
...
SULFUR
0.2463
1313.000
179.700
0.1580
0.2640
388.360
717.824
388.360
3.054530e-05
0.017870
20.2454
30.324294
0.047262
0.738124
2.414214
SILICON
1.0596
4886.000
529.978
0.2326
0.3070
1685.000
3151.000
1685.000
4.675110e-07
0.011087
197.8380
142.383086
0.059633
1.705765
2.414214
VANADIUM
-0.2408
11325.000
10179.124
0.0328
0.3590
2190.000
3653.150
2190.000
3.112910e-05
0.000000
0.0000
39.826793
0.007196
-0.012387
2.414214
XENON
0.0000
289.740
57.640
0.1180
0.2860
161.360
165.030
161.360
8.059990e-01
0.044449
15.9089
4.603650
0.032514
0.374640
2.414214
ZINC
0.0780
3170.000
2866.024
0.0330
0.3636
692.700
1181.150
692.700
2.043470e-04
0.009979
109.4470
11.082762
0.007154
0.493294
2.414214
DIMETHYLDICHLOROSILANE
0.2675
520.350
34.444
0.3580
0.2890
197.050
343.350
197.050
1.323370e-04
0.121206
15.6323
24.847738
0.097718
0.767880
2.414214
DIMETHYLCHLOROSILANE
0.2526
472.000
35.727
0.2990
0.2760
162.150
308.650
162.150
4.154710e-05
0.109917
14.3865
19.710460
0.085455
0.746992
2.414214
TRIMETHYLCHLOROSILANE
0.2701
497.750
31.582
0.3660
0.2830
215.450
330.750
215.450
2.014680e-03
0.127296
14.6548
24.796605
0.101945
0.771513
2.414214
TETRAMETHYLSILANE
0.2240
450.400
27.772
0.3570
0.2680
174.070
299.800
174.070
2.608800e-04
0.137700
12.6060
23.088671
0.104902
0.706563
2.414214
HEXAMETHYLDISILOXANE
0.4176
518.700
18.890
0.6010
0.2670
204.930
373.670
204.930
5.704260e-05
0.213585
12.5781
45.020453
0.177614
0.971616
2.414214
HEXAMETHYLCYCLOTRISILOXANE
0.4742
554.200
16.413
0.6340
0.2290
337.150
408.260
337.150
8.380000e-02
0.249999
12.4479
59.149952
0.218409
1.045284
2.414214
HEXAMETHYLDISILAZANE
0.5101
544.000
18.949
0.6130
0.2600
0.000
399.150
0.000
0.000000e+00
0.209042
13.6319
49.365191
0.185697
1.091113
2.414214
OCTAMETHYLCYCLOTETRASILOXANE
0.5890
586.500
13.146
0.9700
0.2650
290.800
448.150
290.800
7.295520e-04
0.312420
12.9222
82.708801
0.288580
1.189390
2.414214
DECAMETHYLCYCLOPENTASILOXANE
0.6658
619.150
11.448
1.2160
0.2740
235.150
484.100
235.150
6.955680e-07
0.388615
12.0599
105.845270
0.349831
1.281824
2.414214
DODECAMETHYLCYCLOHEXASILOXANE
0.7462
645.800
9.484
1.6100
0.2880
270.150
518.150
270.150
2.834620e-06
0.462201
11.6290
138.999698
0.440452
1.375179
2.414214
DICHLOROSILANE
0.0985
459.000
45.300
0.2370
0.2850
151.150
281.450
151.150
4.528600e-05
0.081957
16.6804
14.700648
0.065540
0.523934
2.414214
TRICHLOROSILANE
0.2031
479.000
41.155
0.2680
0.2810
144.950
305.000
144.950
2.832050e-06
0.101489
15.4886
17.622103
0.075284
0.676739
2.414214
TETRACHLOROSILANE
0.2318
507.000
35.431
0.3260
0.2780
204.300
330.000
204.300
7.816670e-04
0.115581
15.3423
22.931994
0.092559
0.717633
2.414214
TETRAFLUOROSILANE
0.3858
259.000
36.714
0.2020
0.3490
186.350
178.000
186.350
2.178400e+00
0.063961
14.4327
5.775335
0.045631
0.929469
2.414214
SILANE
0.0965
269.700
47.800
0.1327
0.2870
88.150
161.000
88.480
1.581380e-04
0.055126
14.2013
4.809981
0.036496
0.520955
2.414214
DISILANE
0.1017
432.000
50.629
0.1980
0.2830
140.650
259.000
143.850
2.318210e-04
0.074015
16.0554
11.651383
0.055192
0.528696
2.414214
TRIMETHYLALUMINUM
0.2179
620.000
39.477
0.2710
0.2100
288.430
400.270
288.430
8.795490e-03
0.096325
20.4074
30.778578
0.101587
0.697883
2.414214
TRIMETHYLGALLIUM
0.2077
510.000
39.872
0.2110
0.2010
257.450
328.950
257.450
3.297440e-02
0.100788
17.3704
20.619667
0.082736
0.683323
2.414214
CHLOROSULFONIC ACID
0.3010
700.000
83.888
0.1950
0.2850
193.150
427.000
193.150
5.090520e-08
0.000000
26.1158
18.463140
0.053975
0.814405
2.414214
PERCHLORIC ACID
0.0498
631.000
38.095
0.1680
0.1240
171.950
385.000
171.950
1.274040e-06
0.000000
22.2548
33.036959
0.107141
0.450775
2.414214
NITRIC ACID
0.7144
520.000
68.000
0.1450
0.2310
231.550
356.150
231.550
5.997350e-04
2.170300
29.6056
12.569184
0.049464
1.338672
2.414214
WATER
0.3449
647.130
217.666
0.0559
0.2290
273.150
373.150
273.160
6.037300e-03
0.018069
47.8127
6.081375
0.019231
0.874457
2.414214
HYDROGEN PEROXIDE
0.3582
730.150
214.162
0.0777
0.2780
272.725
423.350
272.740
3.424620e-04
2.260200
45.8343
7.868484
0.022053
0.892445
2.414214
MAGNESIUM OXIDE
0.0000
5950.000
33.470
0.2095
0.0144
3105.000
3873.200
3105.000
0.000000e+00
0.000000
162.4650
3343.393845
1.149883
0.374640
2.414214
PHOSPHORUS PENTOXIDE
0.5936
1291.000
228.966
0.0000
0.0000
561.150
787.150
561.150
4.100290e-03
0.000000
0.0000
23.008632
0.036471
1.195016
2.414214
27600 rows × 15 columns
In [82]:
X_train, X_test, y_train, y_test = train_test_split(
parametrosRepetidos_2[["Tc", "Pc"]], parametrosRepetidos_2["ac"],
test_size=0.30, random_state=42
)
model = MLPRegressor(
# ensayo 1
max_iter=1000,
# ensayo 2
#hidden_layer_sizes=(100,100,100),
learning_rate_init=0.0001,
)
model.fit(X_train, y_train)
predict = model.predict(X_test)
print("Predict: %s" % list(predict[:5]))
data_check = pd.DataFrame(predict, columns=["predict"])
data_check["ac"]=list(y_test)
data_check.set_index(["ac"], drop=False, inplace=True)
data_check.sort_values(by=["ac"], inplace=True)
Predict: [43.614579397826738, 30.952456480089747, 40.693734468062594, 24.17367662389584, 20.152395640949333]
In [83]:
# ensayo 5
data_check.plot()
Out[83]:
<matplotlib.axes._subplots.AxesSubplot at 0x7f3b05d87d30>
In [ ]:
In [17]:
name_componets
Out[17]:
['METHANE',
'ETHANE',
'PROPANE',
'n-BUTANE',
'n-PENTANE',
'n-HEXANE',
'n-HEPTANE',
'n-OCTANE',
'n-NONANE',
'n-DECANE',
'n-UNDECANE',
'n-DODECANE',
'n-TRIDECANE',
'n-TETRADECANE',
'n-PENTADECANE',
'n-HEXADECANE',
'n-HEPTADECANE',
'n-OCTADECANE',
'n-NONADECANE',
'n-EICOSANE',
'n-HENEICOSANE',
'n-DOCOSANE',
'n-TRICOSANE',
'n-TETRACOSANE',
'n-PENTACOSANE',
'n-HEXACOSANE',
'n-OCTACOSANE',
'n-TRIACONTANE',
'n-DOTRIACONTANE',
'n-HEXATRIACONTANE',
'ISOBUTANE',
'ISOPENTANE',
'2-METHYLPENTANE',
'3-METHYLPENTANE',
'2-METHYLHEXANE',
'3-METHYLHEXANE',
'2-METHYLHEPTANE',
'3-METHYLHEPTANE',
'4-METHYLHEPTANE',
'2-METHYLOCTANE',
'3-METHYLOCTANE',
'4-METHYLOCTANE',
'2-METHYLNONANE',
'3-METHYLNONANE',
'4-METHYLNONANE',
'5-METHYLNONANE',
'NEOPENTANE',
'2,2-DIMETHYLBUTANE',
'2,3-DIMETHYLBUTANE',
'2,2-DIMETHYLPENTANE',
'2,3-DIMETHYLPENTANE',
'2,4-DIMETHYLPENTANE',
'3,3-DIMETHYLPENTANE',
'2,2-DIMETHYLHEXANE',
'2,3-DIMETHYLHEXANE',
'2,4-DIMETHYLHEXANE',
'2,5-DIMETHYLHEXANE',
'3,3-DIMETHYLHEXANE',
'3,4-DIMETHYLHEXANE',
'2,2-DIMETHYLHEPTANE',
'2,6-DIMETHYLHEPTANE',
'2,2-DIMETHYLOCTANE',
'2,3-DIMETHYLOCTANE',
'2,4-DIMETHYLOCTANE',
'2,5-DIMETHYLOCTANE',
'2,6-DIMETHYLOCTANE',
'2,7-DIMETHYLOCTANE',
'3-ETHYLPENTANE',
'2,2,3-TRIMETHYLBUTANE',
'3-ETHYLHEXANE',
'2-METHYL-3-ETHYLPENTANE',
'3-METHYL-3-ETHYLPENTANE',
'2,2,3,3-TETRAMETHYLBUTANE',
'2,2,3-TRIMETHYLPENTANE',
'2,2,4-TRIMETHYLPENTANE',
'2,3,3-TRIMETHYLPENTANE',
'2,3,4-TRIMETHYLPENTANE',
'3,3-DIETHYLPENTANE',
'2,2-DIMETHYL-3-ETHYLPENTANE',
'2,4-DIMETHYL-3-ETHYLPENTANE',
'3-ETHYLHEPTANE',
'2,2,3,3-TETRAMETHYLPENTANE',
'2,2,3,4-TETRAMETHYLPENTANE',
'2,2,4,4-TETRAMETHYLPENTANE',
'2,3,3,4-TETRAMETHYLPENTANE',
'2,2,5-TRIMETHYLHEXANE',
'2,4,4-TRIMETHYLHEXANE',
'CYCLOPROPANE',
'CYCLOBUTANE',
'CYCLOPENTANE',
'CYCLOHEXANE',
'CYCLOHEPTANE',
'CYCLOOCTANE',
'METHYLCYCLOPENTANE',
'1,1-DIMETHYLCYCLOPENTANE',
'cis-1,2-DIMETHYLCYCLOPENTANE',
'trans-1,2-DIMETHYLCYCLOPENTANE',
'cis 1,3-DIMETHYLCYCLOPENTANE',
'trans 1,3-DIMETHYLCYCLOPENTANE',
'ETHYLCYCLOPENTANE',
'ISOPROPYLCYCLOPENTANE',
'1-METHYL-1-ETHYLCYCLOPENTANE',
'n-PROPYLCYCLOPENTANE',
'n-BUTYLCYCLOPENTANE',
'METHYLCYCLOHEXANE',
'1,1-DIMETHYLCYCLOHEXANE',
'cis-1,2-DIMETHYLCYCLOHEXANE',
'trans-1,2-DIMETHYLCYCLOHEXANE',
'cis-1,3-DIMETHYLCYCLOHEXANE',
'trans-1,3-DIMETHYLCYCLOHEXANE',
'cis-1,4-DIMETHYLCYCLOHEXANE',
'trans-1,4-DIMETHYLCYCLOHEXANE',
'ETHYLCYCLOHEXANE',
'ISOPROPYLCYCLOHEXANE',
'n-PROPYLCYCLOHEXANE',
'n-BUTYLCYCLOHEXANE',
'n-DECYLCYCLOHEXANE',
'cis-DECAHYDRONAPHTHALENE',
'trans-DECAHYDRONAPHTHALENE',
'BICYCLOHEXYL',
'ETHYLENE',
'PROPYLENE',
'1-BUTENE',
'1-PENTENE',
'1-HEXENE',
'1-HEPTENE',
'1-OCTENE',
'1-NONENE',
'1-DECENE',
'1-UNDECENE',
'1-DODECENE',
'1-TRIDECENE',
'1-TETRADECENE',
'1-PENTADECENE',
'1-HEXADECENE',
'1-HEPTADECENE',
'1-OCTADECENE',
'1-NONADECENE',
'1-EICOSENE',
'cis-2-BUTENE',
'trans-2-BUTENE',
'cis-2-PENTENE',
'trans-2-PENTENE',
'cis-2-HEXENE',
'trans-2-HEXENE',
'cis-3-HEXENE',
'trans-3-HEXENE',
'cis-2-HEPTENE',
'trans-2-HEPTENE',
'cis-3-HEPTENE',
'trans-3-HEPTENE',
'cis-2-OCTENE',
'cis-3-OCTENE',
'cis-4-OCTENE',
'trans-2-OCTENE',
'trans-3-OCTENE',
'trans-4-OCTENE',
'ISOBUTENE',
'2-METHYL-1-BUTENE',
'2-METHYL-2-BUTENE',
'3-METHYL-1-BUTENE',
'2-METHYL-1-PENTENE',
'2-METHYL-2-PENTENE',
'3-METHYL-1-PENTENE',
'3-METHYL-cis-2-PENTENE',
'3-METHYL-trans-2-PENTENE',
'4-METHYL-1-PENTENE',
'4-METHYL-cis-2-PENTENE',
'4-METHYL-trans-2-PENTENE',
'2-METHYL-1-HEXENE',
'3-METHYL-1-HEXENE',
'4-METHYL-1-HEXENE',
'2-METHYL-1-HEPTENE',
'2,3-DIMETHYL-1-BUTENE',
'2,3-DIMETHYL-2-BUTENE',
'3,3-DIMETHYL-1-BUTENE',
'2-ETHYL-1-BUTENE',
'2-ETHYL-1-PENTENE',
'3-ETHYL-1-PENTENE',
'2,3,3-TRIMETHYL-1-BUTENE',
'2,3-DIMETHYL-1-HEXENE',
'2-ETHYL-1-HEXENE',
'2,4,4-TRIMETHYL-1-PENTENE',
'2,4,4-TRIMETHYL-2-PENTENE',
'CYCLOPENTENE',
'CYCLOHEXENE',
'1-METHYLCYCLOPENTENE',
'3-METHYLCYCLOPENTENE',
'4-METHYLCYCLOPENTENE',
'CYCLOHEPTENE',
'CYCLOOCTENE',
'PROPADIENE',
'1,2-BUTADIENE',
'1,3-BUTADIENE',
'CYCLOPENTADIENE',
'ISOPRENE',
'3-METHYL-1,2-BUTADIENE',
'1,2-PENTADIENE',
'cis-1,3-PENTADIENE',
'trans-1,3-PENTADIENE',
'1,4-PENTADIENE',
'2,3-PENTADIENE',
'1,3-CYCLOHEXADIENE',
'1,4-CYCLOHEXADIENE',
'METHYLCYCLOPENTADIENE',
'2,3-DIMETHYL-1,3-BUTADIENE',
'1,4-HEXADIENE',
'1,5-HEXADIENE',
'cis,trans-2,4-HEXADIENE',
'trans,trans-2,4-HEXADIENE',
'1,5-CYCLOOCTADIENE',
'VINYLCYCLOHEXENE',
'2,5-DIMETHYL-1,5-HEXADIENE',
'2,5-DIMETHYL-2,4-HEXADIENE',
'DICYCLOPENTADIENE',
'ACETYLENE',
'METHYLACETYLENE',
'VINYLACETYLENE',
'DIMETHYLACETYLENE',
'ETHYLACETYLENE',
'2-METHYL-1-BUTENE-3-YNE',
'1-PENTENE-3-YNE',
'1-PENTENE-4-YNE',
'3-METHYL-1-BUTYNE',
'1-PENTYNE',
'2-PENTYNE',
'1-HEXYNE',
'2-HEXYNE',
'3-HEXYNE',
'1-HEPTYNE',
'1-OCTYNE',
'BENZENE',
'TOLUENE',
'ETHYLBENZENE',
'n-PROPYLBENZENE',
'n-BUTYLBENZENE',
'n-PENTYLBENZENE',
'n-HEXYLBENZENE',
'n-HEPTYLBENZENE',
'n-OCTYLBENZENE',
'n-NONYLBENZENE',
'n-DECYLBENZENE',
'n-UNDECYLBENZENE',
'n-DODECYLBENZENE',
'n-TRIDECYLBENZENE',
'n-TETRADECYLBENZENE',
'n-PENTADECYLBENZENE',
'n-HEXADECYLBENZENE',
'n-HEPTADECYLBENZENE',
'n-OCTADECYLBENZENE',
'm-XYLENE',
'o-XYLENE',
'p-XYLENE',
'CUMENE',
'm-ETHYLTOLUENE',
'o-ETHYLTOLUENE',
'p-ETHYLTOLUENE',
'MESITYLENE',
'1,2,3-TRIMETHYLBENZENE',
'1,2,4-TRIMETHYLBENZENE',
'sec-BUTYLBENZENE',
'tert-BUTYLBENZENE',
'm-CYMENE',
'o-CYMENE',
'p-CYMENE',
'm-DIETHYLBENZENE',
'o-DIETHYLBENZENE',
'p-DIETHYLBENZENE',
'2-ETHYL-m-XYLENE',
'2-ETHYL-p-XYLENE',
'3-ETHYL-o-XYLENE',
'4-ETHYL-m-XYLENE',
'4-ETHYL-o-XYLENE',
'5-ETHYL-m-XYLENE',
'ISOBUTYLBENZENE',
'1-METHYL-2-n-PROPYLBENZENE',
'1-METHYL-3-n-PROPYLBENZENE',
'1-METHYL-4-n-PROPYLBENZENE',
'1,2,3,4-TETRAMETHYLBENZENE',
'1,2,3,5-TETRAMETHYLBENZENE',
'1,2,4,5-TETRAMETHYLBENZENE',
'm-DIISOPROPYLBENZENE',
'p-DIISOPROPYLBENZENE',
'p-tert-BUTYL ETHYLBENZENE',
'ETHYNYLBENZENE',
'STYRENE',
'alpha-METHYLSTYRENE',
'm-METHYLSTYRENE',
'o-METHYLSTYRENE',
'p-METHYLSTYRENE',
'cis-1-PROPENYLBENZENE',
'trans-1-PROPENYLBENZENE',
'm-DIVINYLBENZENE',
'2-PHENYLBUTENE-1',
'cis-2-PHENYLBUTENE-2',
'trans-2-PHENYLBUTENE-2',
'p-ISOPROPENYLSTYRENE',
'CYCLOHEXYLBENZENE',
'p-tert-BUTYLSTYRENE',
'4-ISOBUTYLSTYRENE',
'NAPHTHALENE',
'1,2,3,4-TETRAHYDRONAPHTHALENE',
'1-METHYLNAPHTHALENE',
'2-METHYLNAPHTHALENE',
'2,6-DIMETHYLNAPHTHALENE',
'2,7-DIMETHYLNAPHTHALENE',
'1-ETHYLNAPHTHALENE',
'2-ETHYLNAPHTHALENE',
'1-n-PROPYLNAPHTHALENE',
'1-n-BUTYLNAPHTHALENE',
'1-PHENYLNAPHTHALENE',
'1-n-HEXYLNAPHTHALENE',
'1-n-HEXYL-1,2,3,4-TETRAHYDRONAPHTHALENE',
'1-n-NONYLNAPHTHALENE',
'1-n-DECYLNAPHTHALENE',
'ACENAPHTHALENE',
'ACENAPHTHENE',
'FLUORENE',
'ANTHRACENE',
'PHENANTHRENE',
'FLUORANTHENE',
'PYRENE',
'CHRYSENE',
'BIPHENYL',
'DIPHENYLMETHANE',
'DIPHENYLACETYLENE',
'cis-STILBENE',
'trans-STILBENE',
'1,1-DIPHENYLETHANE',
'1,2-DIPHENYLETHANE',
'm-TERPHENYL',
'o-TERPHENYL',
'p-TERPHENYL',
'2,4-DIPHENYL-4-METHYLPENTENE-1',
'2,3-DIMETHYL-2,3-DIPHENYLBUTANE',
'TRIPHENYLMETHANE',
'TRIPHENYLETHYLENE',
'1,1,2-TRIPHENYLETHANE',
'TETRAPHENYLMETHANE',
'TETRAPHENYLETHYLENE',
'1,1,2,2-TETRAPHENYLETHANE',
'd-LIMONENE',
'alpha-PHELLANDRENE',
'beta-PHELLANDRENE',
'alpha-TERPINENE',
'gamma-TERPINENE',
'TERPINOLENE',
'2-NORBORNENE',
'INDENE',
'INDANE',
'1-METHYLINDENE',
'2-METHYLINDENE',
'ADAMANTANE',
'CAMPHENE',
'alpha-PINENE',
'beta-PINENE',
'1,2,3-TRIMETHYLINDENE',
'1-PHENYLINDENE',
'AIR',
'ARSINE',
'DIBORANE',
'CARBON MONOXIDE',
'CARBON DIOXIDE',
'PERCHLORYL FLUORIDE',
'NITROSYL CHLORIDE',
'CHLORINE DIOXIDE',
'NITROGEN TRIFLUORIDE',
'TETRAFLUOROHYDRAZINE',
'HYDROGEN SULFIDE',
'PHOSPHINE',
'HYDRAZINE',
'NITRIC OXIDE',
'NITROUS OXIDE',
'OZONE',
'SULFUR DIOXID',
'FORMALDEHYDE',
'GLYOXAL',
'ACETALDEHYDE',
'ACROLEIN',
'1-PROPANAL',
'trans-CROTONALDEHYDE',
'METHACROLEIN',
'1-BUTANAL',
'2-METHYLPROPANAL',
'1-PENTANAL',
'1-HEXANAL',
'BENZALDEHYDE',
'1-HEPTANAL',
'2-METHYLHEXANAL',
'3-METHYLHEXANAL',
'TEREPHTHALDEHYDE',
'p-TOLUALDEHYDE',
'2-ETHYLHEXANAL',
'1-OCTANAL',
'1-NONANAL',
'1-DECANAL',
'1-UNDECANAL',
'1-DODECANAL',
'1-TRIDECANAL',
'KETENE',
'ACETONE',
'DIKETENE',
'METHYL ETHYL KETONE',
'CYCLOPENTANONE',
'METHYL ETHYL KETONE KETONE',
'ACETYLACETONE',
'METHYL ISOPROPYL KETONE',
'2-PENTANONE',
'3-PENTANONE',
'QUINONE',
'CYCLOHEXANONE',
'MESITYL OXIDE',
'3,3-DIMETHYL-2-BUTANONE',
'ETHYL ISOPROPYL KETONE',
'2-HEXANONE',
'3-HEXANONE',
'METHYL ISOBUTYL KETONE',
'3-METHYL-2-PENTANONE',
'DIISOPROPYL KETONE',
'2-HEPTANONE',
'3-HEPTANONE',
'4-HEPTANONE',
'5-METHYL-2-HEXANONE',
'ACETOPHENONE',
'2-OCTANONE',
'ISOPHORONE',
'DIISOBUTYL KETONE',
'2-NONANONE',
'5-NONANONE',
'CAMPHOR',
'2-CYCLOHEXYL CYCLOHEXANONE',
'BENZOPHENONE',
'ANTHRAQUINONE',
'METHANOL',
'ETHANOL',
'1-PROPANOL',
'1-BUTANOL',
'1-PENTANOL',
'1-HEXANOL',
'1-HEPTANOL',
'1-OCTANOL',
'1-NONANOL',
'1-DECANOL',
'1-UNDECANOL',
'1-DODECANOL',
'1-TRIDECANOL',
'1-TETRADECANOL',
'1-PENTADECANOL',
'1-HEXADECANOL',
'1-HEPTADECANOL',
'1-OCTADECANOL',
'1-NONADECANOL',
'1-EICOSANOL',
'PROPARGYL ALCOHOL',
'ALLYL ALCOHOL',
'ISOPROPANOL',
'2-BUTANOL',
'2-METHYL-1-PROPANOL',
'2-METHYL-2-PROPANOL',
'2,2-DIMETHYL-1-PROPANOL',
'2-METHYL-1-BUTANOL',
'2-METHYL-2-BUTANOL',
'3-METHYL-1-BUTANOL',
'3-METHYL-2-BUTANOL',
'2-PENTANOL',
'3-PENTANOL',
'2-ETHYL-1-BUTANOL',
'2-HEXANOL',
'2-METHYL-1-PENTANOL',
'4-METHYL-2-PENTANOL',
'2-HEPTANOL',
'5-METHYL-1-HEXANOL',
'2-ETHYL-1-HEXANOL',
'2-OCTANOL',
'2,6-DIMETHYL-4-HEPTANOL',
'2-NONANOL',
'8-METHYL-1-NONANOL',
'CYCLOHEXANOL',
'1-METHYLCYCLOHEXANOL',
'cis-2-METHYLCYCLOHEXANOL',
'trans-2-METHYLCYCLOHEXANOL',
'cis-3-METHYLCYCLOHEXANOL',
'trans-3-METHYLCYCLOHEXANOL',
'cis-4-METHYLCYCLOHEXANOL',
'trans-4-METHYLCYCLOHEXANOL',
'L-MENTHOL',
'PHENOL',
'BENZYL ALCOHOL',
'm-CRESOL',
'o-CRESOL',
'p-CRESOL',
'4-HYDROXYSTYRENE',
'p-ETHYLPHENOL',
'alpha-METHYLBENZYL ALCOHOL',
'2-PHENYLETHANOL',
'2,3-XYLENOL',
'2,4-XYLENOL',
'2,5-XYLENOL',
'2,6-XYLENOL',
'3,4-XYLENOL',
'3,5-XYLENOL',
'1-PHENYL-1-PROPANOL',
'1-PHENYL-2-PROPANOL',
'2-PHENYL-2-PROPANOL',
'p-tert-BUTYLPHENOL',
'p-tert-AMYLPHENOL',
'p-tert-OCTYLPHENOL',
'p-CUMYLPHENOL',
'2,6-DI-tert-BUTYL-p-CRESOL',
'NONYLPHENOL',
'DINONYLPHENOL',
'ETHYLENE GLYCOL',
'1,2-PROPYLENE GLYCOL',
'1,3-PROPYLENE GLYCOL',
'GLYCEROL',
'2-BUTYNE-1,4-DIOL',
'cis-2-BUTENE-1,4-DIOL',
'trans-2-BUTENE-1,4-DIOL',
'1,2-BUTANEDIOL',
'1,3-BUTANEDIOL',
'1,4-BUTANEDIOL',
'2,3-BUTANEDIOL',
'2-METHYL-1,3-PROPANEDIOL',
'DIETHYLENE GLYCOL',
'NEOPENTYL GLYCOL',
'1,5-PENTANEDIOL',
'2,4-PENTANEDIOL',
'PENTAERYTHRITOL',
'1,2-BENZENEDIOL',
'1,3-BENZENEDIOL',
'p-HYDROQUINONE',
'1,2,3-BENZENETRIOL',
'INOSITOL',
'1,6-HEXANEDIOL',
'HEXYLENE GLYCOL',
'DIPROPYLENE GLYCOL',
'TRIMETHYLOLPROPANE',
'TRIETHYLENE GLYCOL',
'SORBITOL',
'TETRAETHYLENE GLYCOL',
'TRIPROPYLENE GLYCOL',
'p-tert-BUTYLCATECHOL',
'BISPHENOL A',
'FORMIC ACID',
'ACETIC ACID',
'PROPIONIC ACID',
'n-BUTYRIC ACID',
'n-PENTANOIC ACID',
'n-HEXANOIC ACID',
'n-HEPTANOIC ACID',
'n-OCTANOIC ACID',
'n-NONANOIC ACID',
'n-DECANOIC ACID',
'n-UNDECANOIC ACID',
'n-DODECANOIC ACID',
'n-TRIDECANOIC ACID',
'n-TETRADECANOIC ACID',
'PENTADECANOIC ACID',
'n-HEXADECANOIC ACID',
'n-HEPTADECANOIC ACID',
'STEARIC ACID',
'NONADECANOIC ACID',
'n-EICOSANIC ACID',
'PERACETIC ACID',
'ACRYLIC ACID',
'cis-CROTONIC ACID',
'trans-CROTONIC ACID',
'METHACRYLIC ACID',
'ISOBUTYRIC ACID',
'CITRACONIC ACID',
'ITACONIC ACID',
'2-METHYLBUTYRIC ACID',
'ISOVALERIC ACID',
'NEOPENTANOIC ACID',
'2-ETHYL BUTYRIC ACID',
'CINNAMIC ACID',
'LINOLENIC ACID',
'LINOLEIC ACID',
'OLEIC ACID',
'ABIETIC ACID',
'OXALIC ACID',
'MALONIC ACID',
'FUMARIC ACID',
'MALEIC ACID',
'SUCCINIC ACID',
'GLUTARIC ACID',
'ADIPIC ACID',
'PIMELIC ACID',
'1,4-CYCLOHEXANEDICARBOXYLIC ACID',
'SUBERIC ACID',
'AZELAIC ACID',
'SEBACIC ACID',
'BENZOIC ACID',
'ISOPHTHALIC ACID',
'PHTHALIC ACID',
'TEREPHTHALIC ACID',
'o-TOLUIC ACID',
'p-TOLUIC ACID',
'PYROMELLITIC ACID',
'IBUPROFEN',
'MALEIC ANHYDRIDE',
'SUCCINIC ANHYDRIDE',
'ACETIC ANHYDRIDE',
'GLUTARIC ANHYDRIDE',
'PROPIONIC ANHYDRIDE',
'PHTHALIC ANHYDRIDE',
'BUTYRIC ANHYDRIDE',
'TRIMELLITIC',
'METHYL FORMATE',
'VINYL FORMATE',
'ETHYL FORMATE',
'n-PROPYL FORMATE',
'n-BUTYL FORMATE',
'sec-BUTYL FORMATE',
'tert-BUTYL FORMATE',
'ISOBUTYL FORMATE',
'n-PENTYL FORMATE',
'CYCLOHEXYL FORMATE',
'n-HEXYL FORMATE',
'n-HEPTYL FORMATE',
'n-OCTYL FORMATE',
'n-NONYL FORMATE',
'n-DECYL FORMATE',
'METHYL ACETATE',
'VINYL ACETATE',
'ETHYL ACETATE',
'ALLYL ACETATE',
'ISOPROPYL ACETATE',
'n-PROPYL ACETATE',
'ETHYLENE GLYCOL DIACETATE',
'ETHYLIDENE DIACETATE',
'n-BUTYL ACETATE',
'sec-BUTYL ACETATE',
'tert-BUTYL ACETATE',
'ISOBUTYL ACETATE',
'ISOPENTYL ACETATE',
'n-PENTYL ACETATE',
'CYCLOHEXYL ACETATE',
'n-HEXYL ACETATE',
'GLYCERYL TRIACETATE',
'n-HEPTYL',
'2-ETHYLHEXYL',
'n-OCTYL',
'n-NONYL',
'n-DECYL',
'METHYL PROPIONATE',
'VINYL PROPIONATE',
'ETHYL PROPIONATE',
'beta-PROPIOLACTONE',
'gamma-BUTYROLACTONE',
'gamma-VALEROLACTONE',
'epsilon-CAPROLACTONE',
'DI(2-ETHYLHEXYL)ADIPATE',
'DIISOPROPYL ETHER',
'DI-n-PROPYL ETHER',
'METHYL-n-PENTYL ETHER',
'DI-n-BUTYL ETHER',
'DI-sec-BUTYL ETHER',
'DI-tert-BUTYL ETHER',
'DIISOBUTYL ETHER',
'ETHYL-n-HEXYL ETHER',
'DI-n-PENTYL ETHER',
'DI-n-HEXYL ETHER',
'DI-n-OCTYL ETHER',
'DINONYL ETHER',
'METHYLAL',
'1,2-DIMETHOXYETHANE',
'ETHYLAL',
'PARALDEHYDE',
'ACETAL',
'1,2-DIETHOXYETHANE',
'DIETHYLENE GLYCOL DIMETHYL ETHER',
'ANISOLE',
'PHENETOLE',
'DIETHYLENE GLYCOL DIETHYL ETHER',
'TRIETHYLENE GLYCOL DIMETHYL ETHER',
'BENZYL ETHYL ETHER',
'ANETHOLE',
'TETRAETHYLENE GLYCOL DIMETHYL ETHER',
'DIPHENYL ETHER',
'DIETHYLENE GLYCOL DI-n-BUTYL ETHER',
'DIBENZYL ETHER',
'ETHYLENE OXIDE',
'1,2-PROPYLENE OXIDE',
'1,3-PROPYLENE OXIDE',
'TRIOXANE',
'FURAN',
'2,5-DIHYDROFURAN',
'1,2-EPOXYBUTANE',
'1,2-EPOXY-2-METHYLPROPANE',
'TETRAHYDROFURAN',
'1,3-DIOXANE',
'1,4-DIOXANE',
'2-METHYLBENZOFURAN',
'DIBENZOFURAN',
't-BUTYL HYDROPEROXIDE',
'CYCLOHEXYL PEROXIDE',
'ETHYLBENZENE HYDROPEROXIDE',
'DI-t-BUTYL PEROXIDE',
'CUMENE HYDROPEROXIDE',
'p-MENTHANE HYDROPEROXIDE',
'm-DIISOPROPYLBENZENE HYDROPEROXIDE',
'p-DIISOPROPYLBENZENE HYDROPEROXIDE',
'BENZOYL PEROXIDE',
'DICUMYL PEROXIDE',
'CARBON TETRACHLORIDE',
'CHLOROFORM',
'DICHLOROMETHANE',
'METHYL CHLORIDE',
'TETRACHLOROETHYLENE',
'HEXACHLOROETHANE',
'TRICHLOROETHYLENE',
'PENTACHLOROETHANE',
'1,1-DICHLOROETHYLENE',
'cis-1,2-DICHLOROETHYLENE',
'trans-1,2-DICHLOROETHYLENE',
'1,1,1,2-TETRACHLOROETHANE',
'1,1,2,2-TETRACHLOROETHANE',
'VINYL CHLORIDE',
'1,1,1-TRICHLOROETHANE',
'1,1,2-TRICHLOROETHANE',
'1,1-DICHLOROETHANE',
'1,2-DICHLOROETHANE',
'ETHYL CHLORIDE',
'PROPARGYL CHLORIDE',
'2,3-DICHLOROPROPENE',
'2-CHLOROPROPENE',
'3-CHLOROPROPENE',
'1,2,3-TRICHLOROPROPANE',
'1,1-DICHLOROPROPANE',
'1,2-DICHLOROPROPANE',
'1,3-DICHLOROPROPANE',
'ISOPROPYL CHLORIDE',
'n-PROPYL CHLORIDE',
'HEXACHLORO-1,3-BUTADIENE',
'CHLOROPRENE',
'1,3-DICHLORO-trans-2-BUTENE',
'1,4-DICHLORO-cis-2-BUTENE',
'1,4-DICHLORO-trans-2-BUTENE',
'3,4-DICHLORO-1-BUTENE',
'1,2-DICHLOROBUTANE',
'1,4-DICHLOROBUTANE',
'2,3-DICHLOROBUTANE',
'n-BUTYL CHLORIDE',
'sec-BUTYL CHLORIDE',
'tert-BUTYL CHLORIDE',
'HEXACHLOROCYCLOPENTADIENE',
'1,5-DICHLOROPENTANE',
'1-CHLOROPENTANE',
'HEXACHLOROBENZENE',
'1,2,4-TRICHLOROBENZENE',
'1,3,5-TRICHLOROBENZENE',
'm-DICHLOROBENZENE',
'o-DICHLOROBENZENE',
'p-DICHLOROBENZENE',
'MONOCHLOROBENZENE',
'BENZOTRICHLORIDE',
'BENZYL DICHLORIDE',
'2,4-DICHLOROTOLUENE',
'BENZYL CHLORIDE',
'o-CHLOROTOLUENE',
'p-CHLOROTOLUENE',
'1-CHLORONAPHTHALENE',
'TRIBROMOMETHANE',
'DIBROMOMETHANE',
'METHYL BROMIDE',
'1,1,2,2-TETRABROMOETHANE',
'VINYL BROMIDE',
'1,1-DIBROMOETHANE',
'1,2-DIBROMOETHANE',
'BROMOETHANE',
'1-BROMOPROPANE',
'2-BROMOPROPANE',
'1-BROMOBUTANE',
'2-BROMOBUTANE',
'm-DIBROMOBENZENE',
'BROMOBENZENE',
'p-BROMOTOLUENE',
'1-BROMOHEPTANE',
'1-BROMONAPHTHALENE',
'DIIODOMETHANE',
'METHYL IODIDE',
'ETHYL',
'ISOPROPYL',
'n-PROPYL',
'IODOBENZENE',
'CARBON TETRAFLUORIDE',
'TRIFLUOROMETHANE',
'DIFLUOROMETHANE',
'METHYL FLUORIDE',
'TETRAFLUOROETHYLENE',
'HEXAFLUOROETHANE',
'PENTAFLUOROETHANE',
'1,1-DIFLUOROETHYLENE',
'1,1,1,2-TETRAFLUOROETHANE',
'1,1,2,2-TETRAFLUOROETHANE',
'VINYL FLUORIDE',
'1,1,1-TRIFLUOROETHANE',
'1,1-DIFLUOROETHANE',
'1,2-DIFLUOROETHANE',
'ETHYL FLUORIDE',
'HEXAFLUOROPROPYLENE',
'OCTAFLUOROPROPANE',
'OCTAFLUORO-2-BUTENE',
'OCTAFLUOROCYCLOBUTANE',
'DECAFLUOROBUTANE',
'HEXAFLUOROBENZENE',
'FLUOROBENZENE',
'BENZOTRIFLUORIDE',
'BROMOCHLORODIFLUOROMETHANE',
'BROMOTRICHLOROMETHANE',
'BROMOTRIFLUOROMETHANE',
'DIBROMODIFLUOROMETHANE',
'CHLOROTRIFLUOROMETHANE',
'DICHLORODIFLUOROMETHANE',
'TRICHLOROFLUOROMETHANE',
'CHLORODIFLUOROMETHANE',
'DICHLOROFLUOROMETHANE',
'BROMOCHLOROMETHANE',
'BROMOTRIFLUOROETHYLENE',
'1,2-DIBROMOTETRAFLUOROETHANE',
'CHLOROTRIFLUOROETHYLENE',
'CHLOROPENTAFLUOROETHANE',
'1,1-DICHLOROTETRAFLUOROETHANE',
'1,2-DICHLOROTETRAFLUOROETHANE',
'1,1,2-TRICHLOROTRIFLUOROETHANE',
'1,1,1,2-TETRACHLORODIFLUOROETHANE',
'1,1,2,2-TETRACHLORODIFLUOROETHANE',
'HALOTHANE',
'2-CHLORO-1,1-DIFLUOROETHYLENE',
'2-CHLORO-1,1,1,2-TETRAFLUOROETHANE',
'1,1-DICHLORO-2,2,2-TRIFLUOROETHANE',
'1,2-DICHLORO-1,1,2-TRIFLUOROETHANE',
'1,1,1-TRICHLOROFLUOROETHANE',
'1-CHLORO-1,1-DIFLUOROETHANE',
'1,1-DICHLORO-1-FLUOROETHANE',
'2,4-DICHLOROBENZOTRIFLUORIDE',
'p-CHLOROBENZOTRIFLUORIDE',
'METHYLAMINE',
'ETHYLAMINE',
'n-PROPYLAMINE',
'n-BUTYLAMINE',
'n-PENTYLAMINE',
'n-HEXYLAMINE',
'n-HEPTYLAMINE',
'n-OCTYLAMINE',
'n-NONYLAMINE',
'n-DECYLAMINE',
'UNDECYLAMINE',
'n-DODECYLAMINE',
'n-TETRADECYLAMINE',
'DIMETHYLAMINE',
'ISOPROPYLAMINE',
'TRIMETHYLAMINE',
'sec-BUTYLAMINE',
'tert-BUTYLAMINE',
'DIETHYLAMINE',
'ISOBUTYLAMINE',
'DIISOPROPYLAMINE',
'DI-n-PROPYLAMINE',
'TRIETHYLAMINE',
'DI-n-BUTYLAMINE',
'DIISOBUTYLAMINE',
'TRIPROPYLAMINE',
'DIAMYLAMINE',
'TRI-n-BUTYLAMINE',
'TRIAMYLAMINE',
'MELAMINE',
'PYRIDINE',
'ANILINE',
'2-METHYLPYRIDINE',
'3-METHYLPYRIDINE',
'4-METHYLPYRIDINE',
'm-PHENYLENEDIAMINE',
'o-PHENYLENEDIAMINE',
'p-PHENYLENEDIAMINE',
'PHENYLHYDRAZINE',
'BENZYLAMINE',
'2,6-DIMETHYLPYRIDINE',
'N-METHYLANILINE',
'm-TOLUIDINE',
'o-TOLUIDINE',
'p-TOLUIDINE',
'TOLUENEDIAMINE',
'N,N-DIMETHYLANILINE',
'N-ETHYLANILINE',
'o-ETHYLANILINE',
'2,4,6-TRIMETHYLPYRIDINE',
'ISOQUINOLINE',
'QUINOLINE',
'QUINALDINE',
'N,N-DIETHYLANILINE',
'2,6-DIETHYLANILINE',
'DIBENZOPYRROLE',
'p-AMINODIPHENYL',
'DIPHENYLAMINE',
'1,3-DIPHENYLTRIAZENE',
'p-AMINODIPHENYLAMINE',
'BENZIDINE',
'HYDRAZOBENZENE',
'ACRIDINE',
"N,N'-DIPHENYL-p-PHENYLENEDIAMINE",
'ETHYLENEIMINE',
'ETHYLENEDIAMINE',
'ALLYLAMINE',
'PROPYLENEIMINE',
'1,2-PROPANEDIAMINE',
'PYRROLE',
'PYRROLIDINE',
'PIPERAZINE',
'DIETHYLENE TRIAMINE',
'N-METHYLPYRROLE',
'N-METHYLPYRROLIDINE',
'PIPERIDINE',
'DIALLYLAMINE',
'TRIETHYLENEDIAMINE',
'HEXAMETHYLENETETRAMINE',
'CYCLOHEXYLAMINE',
'HEXAMETHYLENEIMINE',
'N-AMINOETHYL PIPERAZINE',
'HEXAMETHYLENEDIAMINE',
'TRIETHYLENE TETRAMINE',
'N-METHYLCYCLOHEXYLAMINE',
'INDOLE',
'TETRAETHYLENEPENTAMINE',
'p-AMINOAZOBENZENE',
'DICYCLOHEXYLAMINE',
'DEHYDROABIETYLAMINE',
'CYANOGEN CHLORIDE',
'HYDROGEN CYANIDE',
'ACETONITRILE',
'DICYANDIAMIDE',
'CYANOGEN',
'MALONONITRILE',
'ACRYLONITRILE',
'PROPIONITRILE',
'SUCCINONITRILE',
'cis-CROTONITRILE',
'trans-CROTONITRILE',
'METHACRYLONITRILE',
'VINYLACETONITRILE',
"2,2'-IMINOBIS-ACETONITRILE",
'n-BUTYRONITRILE',
'ISOBUTYRONITRILE',
'GLUTARONITRILE',
'VALERONITRILE',
'cis-DICYANO-1-BUTENE',
'trans-DICYANO-1-BUTENE',
'1,4-DICYANO-2-BUTENE',
'2,2\',2"-NITRILOTRIS-ACETONITRILE',
'ADIPONITRILE',
'METHYLGLUTARONITRILE',
'HEXANENITRILE',
'BENZONITRILE',
'NITROMETHANE',
'TETRANITROMETHANE',
'NITROETHANE',
'1-NITROPROPANE',
'2-NITROPROPANE',
'1,3,5-TRINITROBENZENE',
'm-DINITROBENZENE',
'o-DINITROBENZENE',
'p-DINITROBENZENE',
'NITROBENZENE',
'2,4,6-TRINITROTOLUENE',
'TETRYL',
'2,4-DINITROTOLUENE',
'2,5-DINITROTOLUENE',
'2,6-DINITROTOLUENE',
'3,4-DINITROTOLUENE',
'3,5-DINITROTOLUENE',
'm-NITROTOLUENE',
'o-NITROTOLUENE',
'p-NITROTOLUENE',
'METHYL ISOCYANATE',
'n-BUTYL ISOCYANATE',
'PHENYL ISOCYANATE',
'CYCLOHEXYL ISOCYANATE',
'TOLUENE DIISOCYANATE',
'1,5-NAPHTHALENE DIISOCYANATE',
"DIPHENYLMETHANE-4,4'-DIISOCYANATE",
'METHYL MERCAPTAN',
'ETHYL MERCAPTAN',
'1,2-ETHANEDITHIOL',
'ISOPROPYL MERCAPTAN',
'n-PROPYL MERCAPTAN',
'n-BUTYL MERCAPTAN',
'Sec-BUTYL MERCAPTAN',
'tert-BUTYL MERCAPTAN',
'ISOBUTYL MERCAPTAN',
'n-PENTYL MERCAPTAN',
'PHENYL MERCAPTAN',
'CYCLOHEXYL MERCAPTAN',
'n-HEXYL MERCAPTAN',
'BENZYL MERCAPTAN',
'n-HEPTYL MERCAPTAN',
'n-OCTYL MERCAPTAN',
'tert-OCTYL MERCAPTAN',
'n-NONYL MERCAPTAN',
'n-DECYL MERCAPTAN',
...]
In [19]:
from rdkit import Chem
from rdkit.Chem import Draw
from pubchempy import get_cids, get_compounds
import matplotlib.pyplot as plt
%matplotlib inline
In [ ]:
moleculaSmiles = get_compounds(molecula, 'name')[0].canonical_smiles
moleculaSmiles
In [22]:
name_componets[:20]
Out[22]:
['METHANE',
'ETHANE',
'PROPANE',
'n-BUTANE',
'n-PENTANE',
'n-HEXANE',
'n-HEPTANE',
'n-OCTANE',
'n-NONANE',
'n-DECANE',
'n-UNDECANE',
'n-DODECANE',
'n-TRIDECANE',
'n-TETRADECANE',
'n-PENTADECANE',
'n-HEXADECANE',
'n-HEPTADECANE',
'n-OCTADECANE',
'n-NONADECANE',
'n-EICOSANE']
In [59]:
#moleculaSmiles = np.chararray(10)
#moleculaSmiles = []
def names_to_smiles(name_componet):
##for i, name in enumerate(name_componets):
# query for cid first in order to avoid timeouterror
## moleculaSmiles[i] = get_compounds(name, 'name')[0].canonical_smiles
## print(moleculaSmiles)
#cid = get_cids(compound, 'name')[0]
#smiles = get_compounds(cid)[0].canonical_smiles
cid = get_cids(name_componet, 'name')[0]
moleculaSmiles = get_compounds(cid)[0].canonical_smiles
#moleculaSmiles = get_compounds(name, 'name')[0].canonical_smiles
return moleculaSmiles
In [87]:
name_componets[40:43] #ensayo 2
name_componets[140:143] #ensayo 3
name_componets[340:345] #ensayo 4
Out[87]:
['1,1,2,2-TETRAPHENYLETHANE',
'd-LIMONENE',
'alpha-PHELLANDRENE',
'beta-PHELLANDRENE',
'alpha-TERPINENE']
In [84]:
#dppr_smiles = names_to_smiles(name_componets[:3])
dppr_smiles = [names_to_smiles(name) for name in name_componets[340:345]]
#smiles_map = {}
#for i in drugs:
# smiles_map[i] = compound_to_smiles(i)
In [85]:
dppr_smiles
Out[85]:
['C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4',
'CC1=CCC(CC1)C(=C)C',
'CC1=CCC(C=C1)C(C)C',
'CC(C)C1CCC(=C)C=C1',
'CC1=CC=C(CC1)C(C)C']
In [81]:
#molecula_D = Chem.MolFromSmiles(dppr_smiles)
#Draw.MolToMPL(molecula_D, size=(50, 50))
In [ ]:
In [67]:
def graficarMolecula(smiles):
molecula_D = Chem.MolFromSmiles(smiles)
Draw.MolToMPL(molecula_D, size=(50, 50))
In [68]:
# ensayo 1
[graficarMolecula(smiles) for smiles in dppr_smiles]
Out[68]:
[None, None, None]
In [77]:
# ensayo 2
[graficarMolecula(smiles) for smiles in dppr_smiles]
Out[77]:
[None, None]
In [82]:
# ensayo 3
[graficarMolecula(smiles) for smiles in dppr_smiles]
Out[82]:
[None, None]
In [86]:
# ensayo 4
[graficarMolecula(smiles) for smiles in dppr_smiles]
Out[86]:
[None, None, None, None, None]
In [ ]:
In [ ]:
In [ ]:
In [ ]:
In [24]:
# Temperatura crítica
Tc = Tb * (b + 1 / (a + (np.sum(Ni * Ci) + GI) ** c))
# Presión crítica
# (Pc/kPa) = M** b / (a + np.sum(Ni*Ci + GI)**2)
Pc = M ** b / (a + np.sum(Ni * Ci) + GI) ** 2
# Volumen critico
# Vc / (1e-6 * m**3 * mol**-1) = (np.sum(Ni * Ci) + GI) / n ** a + b
Vc = (np.sum(Ni * Ci) + GI) / n ** a + b
---------------------------------------------------------------------------
NameError Traceback (most recent call last)
<ipython-input-24-f289e05da970> in <module>()
1 # Temperatura crítica
----> 2 Tc = Tb * (b + 1 / (a + (np.sum(Ni * Ci) + GI) ** c))
3 # Presión crítica
4 # (Pc/kPa) = M** b / (a + np.sum(Ni*Ci + GI)**2)
5 Pc = M ** b / (a + np.sum(Ni * Ci) + GI) ** 2
NameError: name 'Tb' is not defined
In [ ]:
1 1,2,4,5,7,8 (Atoms) 6 0.0418682 0.2512092
6 3,6 (atoms) 2 −0.0038778 −0.0077556
In [26]:
#1 41.8682
41.8682 / 1e3 * 6
Out[26]:
0.2512092
In [ ]:
De esta forma se observa el calculo simple de los parámetros para la sustancia pura 3-METHYLHEPTANE_RKPR
A continuación se realiza el mismo tipo de calculo pero tomando una serie de 9 sustancias puras, que se pueden extender facilmente a n sustancias, para obtener sus parámetros de nuevo con la ecuación de estado RKPR.
In [3]:
properties_data = pt.Data_parse()
components = ["ISOBUTANE", "CARBON DIOXIDE", 'METHANE', "ETHANE", "3-METHYLHEPTANE", "n-PENTACOSANE",
"NAPHTHALENE", "m-ETHYLTOLUENE", "2-METHYL-1-HEXENE"]
NMODEL = "RKPR"
ICALC = "constants_eps"
component_eos_list = np.zeros((len(components),4))
for index, component in enumerate(components):
properties_component = properties_data.selec_component(component)
pt.print_properties_component(component, properties_component)
dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
properties_component[1]['Omega'], properties_component[1]['Vc']])
component_eos = pt.models_eos_cal(NMODEL, ICALC, dinputs)
component_eos_list[index] = component_eos
components_table = pd.DataFrame(component_eos_list, index=components, columns=['ac', 'b', 'rm', 'del1'])
print(components_table)
Component = ISOBUTANE
Acentric_factor = 0.18080000000000002
Critical_Temperature = 408.14 K
Critical_Pressure = 36.003 Bar
Critical_Volume = 0.2627 cm3/mol
Compressibility_factor_Z = 0.28200000000000003
del1ini = 3.9722378008963446
Zc = 0.27871152548257544
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = CARBON DIOXIDE
Acentric_factor = 0.22360000000000002
Critical_Temperature = 304.21 K
Critical_Pressure = 72.865 Bar
Critical_Volume = 0.094 cm3/mol
Compressibility_factor_Z = 0.274
del1ini = 4.462908059336361
Zc = 0.2707937660977233
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = METHANE
Acentric_factor = 0.0115
Critical_Temperature = 190.564 K
Critical_Pressure = 45.389 Bar
Critical_Volume = 0.09860000000000001 cm3/mol
Compressibility_factor_Z = 0.28600000000000003
del1ini = 3.7519407434981633
Zc = 0.2824567739174239
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = ETHANE
Acentric_factor = 0.0995
Critical_Temperature = 305.32 K
Critical_Pressure = 48.083 Bar
Critical_Volume = 0.14550000000000002 cm3/mol
Compressibility_factor_Z = 0.279
del1ini = 4.161423913263858
Zc = 0.2755907402334964
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 3-METHYLHEPTANE
Acentric_factor = 0.3718
Critical_Temperature = 563.67 K
Critical_Pressure = 25.127 Bar
Critical_Volume = 0.464 cm3/mol
Compressibility_factor_Z = 0.252
del1ini = 6.038268203938681
Zc = 0.24877058378575795
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = n-PENTACOSANE
Acentric_factor = 1.1053
Critical_Temperature = 812 K
Critical_Pressure = 9.376 Bar
Critical_Volume = 1.46 cm3/mol
Compressibility_factor_Z = 0.20500000000000002
del1ini = 10.600246415857843
Zc = 0.20275882073834256
/home/andres-python/Documentos/proyectos/pyther/pyther/cubic_parameters_1.py:86: RuntimeWarning: invalid value encountered in log
AT = F - np.log(Volume) + Volume * P_sur / (T * RGAS)
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = NAPHTHALENE
Acentric_factor = 0.3022
Critical_Temperature = 748.35 K
Critical_Pressure = 39.98 Bar
Critical_Volume = 0.41300000000000003 cm3/mol
Compressibility_factor_Z = 0.269
del1ini = 4.8204311891035925
Zc = 0.2653709654843225
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = m-ETHYLTOLUENE
Acentric_factor = 0.3226
Critical_Temperature = 637.15 K
Critical_Pressure = 28.029 Bar
Critical_Volume = 0.49 cm3/mol
Compressibility_factor_Z = 0.263
del1ini = 5.246526144851435
Zc = 0.2592551086535563
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
Component = 2-METHYL-1-HEXENE
Acentric_factor = 0.3094
Critical_Temperature = 538 K
Critical_Pressure = 28.325 Bar
Critical_Volume = 0.398 cm3/mol
Compressibility_factor_Z = 0.255
del1ini = 5.784189965441039
Zc = 0.2520206003977051
The NMODEL is eos_RKPR and method ICALC is constants_eps
params = [ac, b, rm, del1]
ac b rm del1
ISOBUTANE 15.743219 0.064343 2.205509 4.000470
CARBON DIOXIDE 4.409808 0.022801 2.280728 4.492210
METHANE 2.696405 0.024259 1.282178 3.777713
ETHANE 6.649597 0.035503 1.673541 4.190762
3-METHYLHEPTANE 46.430579 0.109351 2.586092 6.043125
n-PENTACOSANE 289.947431 0.320522 4.581358 10.628260
NAPHTHALENE 49.312554 0.099495 2.591582 4.847168
m-ETHYLTOLUENE 51.786960 0.117115 2.565531 5.267361
2-METHYL-1-HEXENE 37.214555 0.094214 2.338038 5.794610
Como se observa, los resultados obtenidos son organizados en un DataFrame permitiendo agilizar la manipulación de los datos de una serie de sustancias puras.
In [8]:
components_table
Out[8]:
ac
b
rm
del1
ISOBUTANE
15.743219
0.064343
2.205509
4.000470
CARBON DIOXIDE
4.409808
0.022801
2.280728
4.492210
METHANE
2.696405
0.024259
1.282178
3.777713
ETHANE
6.649597
0.035503
1.673541
4.190762
3-METHYLHEPTANE
46.430579
0.109351
2.586092
6.043125
n-PENTACOSANE
289.947431
0.320522
4.581358
10.628260
NAPHTHALENE
49.312554
0.099495
2.591582
4.847168
m-ETHYLTOLUENE
51.786960
0.117115
2.565531
5.267361
2-METHYL-1-HEXENE
37.214555
0.094214
2.338038
5.794610
En el siguiente ejemplo se utiliza la ecuación RKPR pero esta vez con la especificación de la temperatura y densidad de líquido saturado para el CARBON DIOXIDE y de esta forma encontrar el valor del parámetro delta que verifica la especificación realizada para la densidad de líquido saturado.
In [29]:
properties_data = pt.Data_parse()
dppr_file = "PureFull.xls"
component = "CARBON DIOXIDE"
NMODEL = "RKPR"
ICALC = "density"
properties_component = properties_data.selec_component(dppr_file, component)
pt.print_properties_component(component, properties_component)
#dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
# properties_component[1]['Omega'], properties_component[1]['Vc']])
T_especific = 270.0
RHOLSat_esp = 21.4626
# valor initial of delta_1
delta_1 = 1.5
dinputs = np.array([properties_component[1]['Tc'], properties_component[1]['Pc'],
properties_component[1]['Omega'], delta_1, T_especific, RHOLSat_esp])
component_eos = pt.models_eos_cal(NMODEL, ICALC, dinputs)
print(component_eos)
Component = CARBON DIOXIDE
Acentric_factor = 0.22360000000000002
Critical_Temperature = 304.21 K
Critical_Pressure = 72.865 Bar
Critical_Volume = 0.094 cm3/mol
Compressibility_factor_Z = 0.274
The NMODEL is eos_RKPR and method ICALC is density
The parameter delta1(rho,T) = [ 2.65756708]
[ 2.65756708]
Content source: pysg/pyther
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